Geometry & MOs

Info

ID:

382023

PubChem CID:

134972926

Reduced:

OC4H9 (1)

Stoich.:

AB4C9 (1)

Weight, g/mol:

234.089209

ΔHf, kcal/mol:

-44.54

Dipole, Da:

1.28

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.752713

Charge, e:

0

Chem-info

IUPAC name:

(5E)-5-[(4-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxolan-4-one

Drug info:

PubChemData

Smile

CC(C)C=[OH+]

DOS

IR

Vibrations