Geometry & MOs

Info

ID:	72008
PubChem CID:	48415711
Reduced:	BrClON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	329.133969
ΔH_f, kcal/mol:	17.08
Dipole, Da:	1.07
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2,4-difluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations