Geometry & MOs

Info

ID:	248488
PubChem CID:	103082042
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	5.18
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations