Geometry & MOs

Info

ID:	247793
PubChem CID:	103073273
Reduced:	NSC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	27.62
Dipole, Da:	2.38
IP(EA), eV:	-8.92(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butan-2-yl(methyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CC(=C)CS)C1CC1

DOS

IR

Vibrations