Geometry & MOs

Info

ID:	396048
PubChem CID:	135027289
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-127.44
Dipole, Da:	3.13
IP(EA), eV:	-10.16(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-1-(4-hydroxy-2-oxo-1,4-dihydroquinolin-3-ylidene)ethyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1[C@@H](N=CO1)C(=O)OC

DOS

IR

Vibrations