Geometry & MOs

Info

ID:	72007
PubChem CID:	48415710
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	405.02435
ΔH_f, kcal/mol:	33.61
Dipole, Da:	8.33
IP(EA), eV:	-8.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-bromo-2-chloro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations