Geometry & MOs

Info

ID:	72144
PubChem CID:	48415858
Reduced:	ClON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	21.65
Dipole, Da:	5.02
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-cyano-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations