Geometry & MOs

Info

ID:	247754
PubChem CID:	103073157
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	243.176919
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.23
IP(EA), eV:	-8.77(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCCC1CCN(CC1)CC(=C)CS

DOS

IR

Vibrations