Acetato de metilo

C

O,1,O2C1

O,1,O3C1,2,O3C1O2

C,1,C4C1,2,C4C1O2,3,180.

C,3,C5O3,1,C5O3C1,2,0.

H,4,H6C4,1,H6C4C1,2,0.

H,4,H7C4,1,H7C4C1,6,DIH1

H,4,H7C4,1,H7C4C1,6,-DIH1

H,5,H9C5,3,H9C5O3,1,180.

H,5,H10C5,3,H10C5O3,9,DIH2

H,5,H10C5,3,H10C5O3,9,-DIH2

Variables:

O2C1=1.19264421

O3C1=1.32168667

C4C1=1.50365369

C5O3=1.41751062

H6C4=1.08008993

H7C4=1.08377586

H9C5=1.07814142

H10C5=1.08059041

O3C1O2=123.43464742

C4C1O2=125.03160145

C5O3C1=117.96856152

H6C4C1=109.68684597

H7C4C1=109.72454713

H9C5O3=105.66744737

H10C5O3=110.38277452

DIH1=121.02223471

DIH2=119.39061659

3.71 35.9C

O,1,O2C1

O,1,O3C1,2,O3C1O2

C,1,C4C1,2,C4C1O2,3,180.

C,3,C5O3,1,C5O3C1,2,0.

H,4,H6C4,1,H6C4C1,2,0.

H,4,H7C4,1,H7C4C1,6,DIH1

H,4,H7C4,1,H7C4C1,6,-DIH1

H,5,H9C5,3,H9C5O3,1,180.

H,5,H10C5,3,H10C5O3,9,DIH2

H,5,H10C5,3,H10C5O3,9,-DIH2

O2C1=1.187949

O3C1=1.32657

C4C1=1.504318

C5O3=1.416448

H6C4=1.079719

H7C4=1.083856

H9C5=1.0788

H10C5=1.080465

O3C1O2=123.383226

C4C1O2=125.203395

C5O3C1=116.939254

H6C4C1=109.611316

H7C4C1=109.722903

H9C5O3=105.873967

H10C5O3=110.567408

DIH1=120.969481

DIH2=119.460829

0. R2 0.

O 0 0. -R2 0.

O 0 0. 0. R2

O 0 0. 0. -R2

R1 2.07

R2 3.28