Geometry & MOs

Info

ID:	27339
PubChem CID:	820764
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	280.007326
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	8.16
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-nitrophenyl)sulfanylaniline

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations