Geometry & MOs

Info

ID:	279230
PubChem CID:	103842197
Reduced:	BrClFON2H7C12 (1)
Stoich.:	ABCDE2F7G12 (1)
Weight, g/mol:	341.02766
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	4.73
IP(EA), eV:	-9.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=NC=C(C=C2)F)Br)Cl

DOS

IR

Vibrations