Geometry & MOs

Info

ID:	71805
PubChem CID:	48415457
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	6.82
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(5-cyanopyridin-2-yl)-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC=C3CN4C(=O)CNC4=O

DOS

IR

Vibrations