Geometry & MOs

Info

ID:	184314
PubChem CID:	77144804
Reduced:	ON4C32H36 (1)
Stoich.:	AB4C32D36 (1)
Weight, g/mol:	393.140117
ΔH_f, kcal/mol:	83.62
Dipole, Da:	6.39
IP(EA), eV:	-7.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzimidazol-2-ylidene)indazol-5-yl]-4,4-difluorocyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C=CC2CC(NN2)C=CC3=CC4=C(C=C3)C=CN4)OCC5=CC=CC=C5

DOS

IR

Vibrations