Geometry & MOs

Info

ID:	247761
PubChem CID:	103073174
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	233.123821
ΔH_f, kcal/mol:	41.53
Dipole, Da:	1.18
IP(EA), eV:	-7.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C2=CC=CC=C21)CC(=C)CS

DOS

IR

Vibrations