Geometry & MOs

Info

ID:	247805
PubChem CID:	103073305
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	199.064255
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	3.43
IP(EA), eV:	-8.68(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CC(=C)CS)C1CCCCCC1

DOS

IR

Vibrations