Geometry & MOs

Info

ID:	7494
PubChem CID:	73137
Reduced:	N2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	178.037842
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	5.01
IP(EA), eV:	-9.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isocyanato-1-methyl-2-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations