Geometry & MOs

Info

ID:	180472
PubChem CID:	76638761
Reduced:	N5O7C29H37 (1)
Stoich.:	A5B7C29D37 (1)
Weight, g/mol:	341.103
ΔH_f, kcal/mol:	-250.45
Dipole, Da:	6.78
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methoxyethyl)-8H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)N4C=CC=N4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations