Geometry & MOs

Info

ID:	430791
PubChem CID:	135170858
Reduced:	ON4C26H32 (1)
Stoich.:	AB4C26D32 (1)
Weight, g/mol:	416.257612
ΔH_f, kcal/mol:	29.51
Dipole, Da:	2.57
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-6-cyclopropyl-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)C5CC5

DOS

IR

Vibrations