Geometry & MOs

Info

ID:	8361
PubChem CID:	76834
Reduced:	N2O3H4C7 (1)
Stoich.:	A2B3C4D7 (1)
Weight, g/mol:	164.022192
ΔH_f, kcal/mol:	5.62
Dipole, Da:	6.14
IP(EA), eV:	-10.08(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-2-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations