Geometry & MOs

Info

ID:	72113
PubChem CID:	48415825
Reduced:	BrON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	329.133969
ΔH_f, kcal/mol:	24.26
Dipole, Da:	5.75
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3,5-difluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations