Geometry & MOs

Info

ID:	13196
PubChem CID:	222964
Reduced:	O3H10C11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	4.8
IP(EA), eV:	-10.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations