Geometry & MOs

Info

ID:	247756
PubChem CID:	103073165
Reduced:	NSC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	240.16602
ΔH_f, kcal/mol:	10.62
Dipole, Da:	1.79
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCC1)CC(=C)CS

DOS

IR

Vibrations