Geometry & MOs

Info

ID:	218998
PubChem CID:	85090322
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	405.124405
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	8.15
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-cyclopentyl-10-methylpyrimido[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)C5CCCCC5

DOS

IR

Vibrations