Geometry & MOs

Info

ID:	72314
PubChem CID:	48416035
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	406.203862
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	1.82
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-propylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)OCC3=CC=CC=C3

DOS

IR

Vibrations