Geometry & MOs

Info

ID:	52387
PubChem CID:	12015233
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	431.113565
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	4.08
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(6-chloro-4-oxochromen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=COC3=CC=CC=C3C2=O)C(=O)C)C)C

DOS

IR

Vibrations