Geometry & MOs

Info

ID:	71990
PubChem CID:	48415692
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	345.104418
ΔH_f, kcal/mol:	10.64
Dipole, Da:	6.69
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations