Geometry & MOs

Info

ID:	247787
PubChem CID:	103073253
Reduced:	NSC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	18.86
Dipole, Da:	1.57
IP(EA), eV:	-7.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCC2)CC(=C)CS

DOS

IR

Vibrations