Geometry & MOs

Info

ID:	4647
PubChem CID:	11803
Reduced:	NO2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	218.032757
ΔH_f, kcal/mol:	35.2
Dipole, Da:	0.09
IP(EA), eV:	-10.33(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dinitronaphthalene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations