Geometry & MOs

Info

ID:	247801
PubChem CID:	103073295
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	187.139471
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	3.08
IP(EA), eV:	-8.76(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCN(C1)CC(=C)CS

DOS

IR

Vibrations