Geometry & MOs

Info

ID:	25146
PubChem CID:	619518
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	250.062994
ΔH_f, kcal/mol:	102.97
Dipole, Da:	4.65
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-phenylindene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=NN3C=C(N=C3N=C2C1)C4=CC=CC=C4

DOS

IR

Vibrations