Geometry & MOs

Info

ID:	430885
PubChem CID:	135170952
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	14.46
Dipole, Da:	2.12
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-4-cyano-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations