Geometry & MOs

Info

ID:	72149
PubChem CID:	48415865
Reduced:	OCl2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	361.074868
ΔH_f, kcal/mol:	2.49
Dipole, Da:	7.39
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2,5-dichloro-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations