Geometry & MOs

Info

ID:	136823
PubChem CID:	52107955
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	336.193669
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	2.66
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinazolin-3-ium-4-amine

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1SCCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations