Geometry & MOs

Info

ID:	186019
PubChem CID:	77380568
Reduced:	Na2O3C8H8 (1)
Stoich.:	A2B3C8D8 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-158.2
Dipole, Da:	15.78
IP(EA), eV:	-6.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)O.[Na].[Na]

DOS

IR

Vibrations