Geometry & MOs

Info

ID:	430943
PubChem CID:	135171013
Reduced:	ION4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	-0.46
Dipole, Da:	2.15
IP(EA), eV:	-8.37(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-6-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C\NI)/CNC1=CCCC(C1)N(CC)C(=O)C2=C/C(=C/C)/CN2

DOS

IR

Vibrations