Geometry & MOs

Info

ID:	218999
PubChem CID:	85090324
Reduced:	ClO2N3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	405.124405
ΔH_f, kcal/mol:	-19.33
Dipole, Da:	8.66
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-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)Cl)C5CCCC5

DOS

IR

Vibrations