Geometry & MOs

Info

ID:	274018
PubChem CID:	103806531
Reduced:	BrFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	392.01524
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	4.02
IP(EA), eV:	-9.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)F)Br)N

DOS

IR

Vibrations