Geometry & MOs

Info

ID:	374353
PubChem CID:	131327364
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	223.05124
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	3.54
IP(EA), eV:	-9.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-3-chlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C[C@@](C2=C1C=C(C=C2O)[N+](=O)[O-])(CO)N

DOS

IR

Vibrations