Geometry & MOs

Info

ID:	431115
PubChem CID:	135171185
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	16.58
Dipole, Da:	1.69
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(3-methoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC2=CC(=NO2)C(C)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations