Geometry & MOs

Info

ID:	169486
PubChem CID:	75110448
Reduced:	NNaC3H4O5 (1)
Stoich.:	ABC3D4E5 (1)
Weight, g/mol:	326.028062
ΔH_f, kcal/mol:	-188.69
Dipole, Da:	4.37
IP(EA), eV:	-9.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methyl-4aH-quinolin-2-ylidene)thieno[2,3-b]pyridin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations