Geometry & MOs

Info

ID:	247796
PubChem CID:	103073281
Reduced:	NS2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	6.53
Dipole, Da:	3.89
IP(EA), eV:	-8.55(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopentyl(ethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CC(=C)CS)C1CCSC1

DOS

IR

Vibrations