Geometry & MOs

Info

ID:	9989
PubChem CID:	95945
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	0.93
Dipole, Da:	6.47
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations