Geometry & MOs

Info

ID:

389436

PubChem CID:

134992894

Reduced:

NS2O3C11H20 (1)

Stoich.:

AB2C3D11E20 (1)

Weight, g/mol:

154.09938

ΔHf, kcal/mol:

-99.87

Dipole, Da:

6.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757106

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-methyl-6-oxooct-4-enal

Drug info:

PubChemData

Smile

CC1(CCC(N1[O])(C)/C=C/CSS(=O)(=O)C)C

DOS

IR

Vibrations