Geometry & MOs

Info

ID:	187977
PubChem CID:	77649857
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	407.113565
ΔH_f, kcal/mol:	-83.79
Dipole, Da:	2.28
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-chloro-2-[2-(8-methoxy-6-methylidene-2-oxoquinolin-5-yl)ethyl]propanedioate

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCC(CN3CCCC3)C4=NC=CN=C4)O

DOS

IR

Vibrations