Geometry & MOs

Info

ID:	247786
PubChem CID:	103073247
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	233.123821
ΔH_f, kcal/mol:	56.3
Dipole, Da:	1.9
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCN(CC1)C2=NC=CC=N2)CS

DOS

IR

Vibrations