Geometry & MOs

Info

ID:	431036
PubChem CID:	135171106
Reduced:	N2O2F3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	2.87
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-ethyl-N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations