Geometry & MOs

Info

ID:	207125
PubChem CID:	80350352
Reduced:	NSCl2O4H7C9 (1)
Stoich.:	ABC2D4E7F9 (1)
Weight, g/mol:	311.022832
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	6.57
IP(EA), eV:	-9.85(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline

Drug info:

PubChemData

Smile

CC(C(=O)O)SC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations