Geometry & MOs

Info

ID:	26402
PubChem CID:	646653
Reduced:	ClN6C19H29 (1)
Stoich.:	AB6C19D29 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	63.51
Dipole, Da:	7.9
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations