Geometry & MOs

Info

ID:

382411

PubChem CID:

134973549

Reduced:

NO2C9H10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

310.039672

ΔHf, kcal/mol:

20.06

Dipole, Da:

2.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.862487

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-5-hydroxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N([O-])OC=C

DOS

IR

Vibrations