Geometry & MOs

Info

ID:	26416
PubChem CID:	647114
Reduced:	NOSH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	28.88
Dipole, Da:	8.86
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1SC3=CS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations