Geometry & MOs

Info

ID:	4626
PubChem CID:	11764
Reduced:	NO2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	218.032757
ΔH_f, kcal/mol:	43.47
Dipole, Da:	9.43
IP(EA), eV:	-10.26(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dinitronaphthalene

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations