Geometry & MOs

Info

ID:	356612
PubChem CID:	127291838
Reduced:	SN2O3C16H30 (1)
Stoich.:	AB2C3D16E30 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	-168.35
Dipole, Da:	2.43
IP(EA), eV:	-8.52(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)CSCC2CCCCO2)O

DOS

IR

Vibrations