Geometry & MOs

Info

ID:	288527
PubChem CID:	104318706
Reduced:	OSN3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	186.173213
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	6.6
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpiperazin-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SCCC(C)O

DOS

IR

Vibrations