Geometry & MOs

Info

ID:	247781
PubChem CID:	103073222
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	219.108171
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	1.83
IP(EA), eV:	-8.42(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCN(CC(=C)CS)C1CCCCC1

DOS

IR

Vibrations