Geometry & MOs

Info

ID:	8161
PubChem CID:	75184
Reduced:	NO4H7C11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	217.037508
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	7.0
IP(EA), eV:	-10.0(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-nitronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations