Geometry & MOs

Info

ID:	52388
PubChem CID:	12015237
Reduced:	ClNO6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-223.18
Dipole, Da:	8.08
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-methyl-4-(6-methyl-4-oxochromen-3-yl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=COC3=C(C2=O)C=C(C=C3)Cl)C(=O)OCC)C)C

DOS

IR

Vibrations