Geometry & MOs

Info

ID:	248497
PubChem CID:	103082126
Reduced:	ClN3O3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	6.25
IP(EA), eV:	-9.39(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-(3-methoxycyclopentyl)aniline

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=NC(=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations