Geometry & MOs

Info

ID:	54504
PubChem CID:	17388788
Reduced:	ClSN2O4C8H11 (1)
Stoich.:	ABC2D4E8F11 (1)
Weight, g/mol:	340.145474
ΔH_f, kcal/mol:	-171.88
Dipole, Da:	5.78
IP(EA), eV:	-10.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-phenyl-2-piperazin-1-ylquinazoline;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NCCS(=O)(=O)O.Cl

DOS

IR

Vibrations