Geometry & MOs

Info

ID:	339436
PubChem CID:	127261332
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	51.81
Dipole, Da:	0.98
IP(EA), eV:	-8.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(4-acetyl-2,5-diphenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C/C=N/OC1=C(N=C(S1)NC2=CC=C(C=C2)C)C

DOS

IR

Vibrations