Geometry & MOs

Info

ID:	250493
PubChem CID:	103097073
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	298.072035
ΔH_f, kcal/mol:	-52.35
Dipole, Da:	5.23
IP(EA), eV:	-9.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-methoxycyclopentyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations