Geometry & MOs

Info

ID:	247783
PubChem CID:	103073241
Reduced:	NSC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	2.45
IP(EA), eV:	-8.85(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(C)CC(=C)CS

DOS

IR

Vibrations