Geometry & MOs

Info

ID:	247788
PubChem CID:	103073256
Reduced:	SN2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	225.098749
ΔH_f, kcal/mol:	39.16
Dipole, Da:	3.71
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-fluorophenyl)methyl-methylamino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)CC(=C)CS

DOS

IR

Vibrations