Geometry & MOs

Info

ID:	268944
PubChem CID:	103602860
Reduced:	NBr2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	327.017747
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	3.78
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-(1-cyanocyclopentyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations