Geometry & MOs

Info

ID:

144866

PubChem CID:

53425824

Reduced:

N2O4C13H13 (1)

Stoich.:

A2B4C13D13 (1)

Weight, g/mol:

173.120449

ΔHf, kcal/mol:

-117.47

Dipole, Da:

2.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793201

Charge, e:

 0

Chem-info

IUPAC name:

4-hepta-1,4-dien-4-ylpyridine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O)NC(=O)[N+]2=COC(=C2)C

DOS

IR

Vibrations