Geometry & MOs

Info

ID:	72298
PubChem CID:	48416018
Reduced:	BrFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	416.141532
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	5.61
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-oxopropyl]-2-chloro-4-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations