Geometry & MOs

Info

ID:	72160
PubChem CID:	48415876
Reduced:	BrON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	24.41
Dipole, Da:	3.78
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations