Geometry & MOs

Info

ID:	219000
PubChem CID:	85090325
Reduced:	ClO2N3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	423.134969
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	8.62
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methoxyphenyl)-10-methyl-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4=CC(=CC=C4)Cl)C5CCCC5

DOS

IR

Vibrations