Geometry & MOs

Info

ID:	188308
PubChem CID:	77696780
Reduced:	BrNNaH3O4C10 (1)
Stoich.:	ABCD3E4F10 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	10.76
IP(EA), eV:	-9.64(-3.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-4-oxo-6-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C2C(=O)C=C(N=C2C(=O)C(=C1)Br)C(=O)[O-].[Na+]

DOS

IR

Vibrations