Geometry & MOs

Info

ID:	72287
PubChem CID:	48416007
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	3.03
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)C3CC3

DOS

IR

Vibrations