Geometry & MOs

Info

ID:	2421
PubChem CID:	7423
Reduced:	NOC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	138.042927
ΔH_f, kcal/mol:	16.45
Dipole, Da:	6.15
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])N

DOS

IR

Vibrations