Geometry & MOs

Info

ID:	77605
PubChem CID:	49658373
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	486.179087
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	1.23
IP(EA), eV:	-8.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]-2-(4-methoxyphenyl)quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CNN3C2=NC4=C(C3C5=CC(=CC=C5)O)C(=O)CC(C4)(C)C)C

DOS

IR

Vibrations