Geometry & MOs

Info

ID:	72156
PubChem CID:	48415872
Reduced:	BrON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	327.11384
ΔH_f, kcal/mol:	22.77
Dipole, Da:	5.43
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations