Geometry & MOs

Info

ID:	431182
PubChem CID:	135171252
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	1.46
Dipole, Da:	5.99
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S)-3-[1H-benzimidazole-2-carbonyl(ethyl)amino]cyclohexyl]-N-benzylcarbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)N)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations