Geometry & MOs

Info

ID:	144490
PubChem CID:	53376868
Reduced:	ClN2O4H25C31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	4.7
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-phenylpiperazin-1-yl)propyl]pyrimido[5,4-c]quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4

DOS

IR

Vibrations