Geometry & MOs

Info

ID:	150774
PubChem CID:	53790470
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	348.134816
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	5.85
IP(EA), eV:	-9.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(2-aminophenyl)methylidene]-11-oxo-1,2,3,5-tetrahydropyrido[2,1-b]quinazolin-10-ium-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC#CC(=O)O)C1=CC(=CC=C1)O

DOS

IR

Vibrations