Geometry & MOs

Info

ID:	4065
PubChem CID:	10674
Reduced:	Cl2O2N4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	434.127631
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	6.55
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl.Cl

DOS

IR

Vibrations