Geometry & MOs

Info

ID:	2349
PubChem CID:	6975
Reduced:	ClNO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	171.008706
ΔH_f, kcal/mol:	0.44
Dipole, Da:	4.64
IP(EA), eV:	-9.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations