Geometry & MOs

Info

ID:	247782
PubChem CID:	103073229
Reduced:	NSC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	28.1
Dipole, Da:	1.58
IP(EA), eV:	-8.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CN1CCCC2=CC=CC=C21)CS

DOS

IR

Vibrations