Geometry & MOs

Info

ID:	204844
PubChem CID:	80017209
Reduced:	NSC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	238.125218
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	3.15
IP(EA), eV:	-8.51(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1-thiol

Drug info:

PubChemData

Smile

CC(C)CN(CC1(CCCCCC1)CS)C(C)C

DOS

IR

Vibrations