Geometry & MOs

Info

ID:	430896
PubChem CID:	135170964
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	2.78
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCSC1)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations