Geometry & MOs

Info

ID:	72188
PubChem CID:	48415904
Reduced:	ClO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	419.04946
ΔH_f, kcal/mol:	9.12
Dipole, Da:	3.77
IP(EA), eV:	-9.2(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations