Geometry & MOs

Info

ID:	83745
PubChem CID:	49860887
Reduced:	ClNC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	360.111981
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	5.67
IP(EA), eV:	-9.48(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-quinazoline-2,4-dione;dihydrochloride

Drug info:

PubChemData

Smile

CN1CCC(CC1)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations