Geometry & MOs

Info

ID:	248485
PubChem CID:	103081997
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-17.22
Dipole, Da:	3.12
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycyclopentyl)-2-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=CN=CC(=N2)Cl

DOS

IR

Vibrations