Geometry & MOs

Info

ID:	250494
PubChem CID:	103097092
Reduced:	ClN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	332.033062
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	4.45
IP(EA), eV:	-9.8(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-(3-methoxycyclopentyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations