Geometry & MOs

Info

ID:

165665

PubChem CID:

74582368

Reduced:

O3N5C21H28 (1)

Stoich.:

A3B5C21D28 (1)

Weight, g/mol:

284.104859

ΔHf, kcal/mol:

-30.53

Dipole, Da:

4.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754835

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(4-ethoxyphenoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2(CC1)C3=C(CCN2)N=C[NH2+]3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations