Geometry & MOs

Info

ID:	413004
PubChem CID:	135085948
Reduced:	ClNC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	215.076871
ΔH_f, kcal/mol:	57.8
Dipole, Da:	2.64
IP(EA), eV:	-8.95(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-enylsulfanylmethyl)quinoline

Drug info:

PubChemData

Smile

CC#CCN(C/C=C\CCl)CC1=CC=CC=C1

DOS

IR

Vibrations