Geometry & MOs

Info

ID:

163005

PubChem CID:

57581342

Reduced:

O5C14H19 (1)

Stoich.:

A5B14C19 (1)

Weight, g/mol:

268.131074

ΔHf, kcal/mol:

-153.42

Dipole, Da:

3.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777513

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-ethoxyphenyl)-4,4-dimethoxybutanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(CCC(=O)[O-])(OC)OC

DOS

IR

Vibrations