Geometry & MOs

Info

ID:	404705
PubChem CID:	135069710
Reduced:	P2O3C31H42 (1)
Stoich.:	A2B3C31D42 (1)
Weight, g/mol:	296.057276
ΔH_f, kcal/mol:	-187.62
Dipole, Da:	2.43
IP(EA), eV:	-8.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-fluoro-6-[5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCP(=O)(CC)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations