Geometry & MOs

Info

ID:	23100
PubChem CID:	601894
Reduced:	O3H4N4C6 (1)
Stoich.:	A3B4C4D6 (1)
Weight, g/mol:	180.02834
ΔH_f, kcal/mol:	74.03
Dipole, Da:	9.53
IP(EA), eV:	-9.6(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2,1,3-benzoxadiazol-7-amine

Drug info:

PubChemData

Smile

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N

DOS

IR

Vibrations