Geometry & MOs

Info

ID:	218996
PubChem CID:	85090319
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	7.69
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-3-(4-methylphenyl)-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=C(C=C4)OC)C5CCCC5

DOS

IR

Vibrations