Geometry & MOs

Info

ID:	219001
PubChem CID:	85090326
Reduced:	ClN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	9.0
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations