Geometry & MOs

Info

ID:

193987

PubChem CID:

78464413

Reduced:

NO2C10H18 (1)

Stoich.:

AB2C10D18 (1)

Weight, g/mol:

389.210327

ΔHf, kcal/mol:

-82.14

Dipole, Da:

2.13

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.757560

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1C[NH+]1C2CCCCC2

DOS

IR

Vibrations