Geometry & MOs

Info

ID:	247757
PubChem CID:	103073168
Reduced:	SN2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	2.37
IP(EA), eV:	-8.39(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCN(CC1)C2CCCC2)CS

DOS

IR

Vibrations