Geometry & MOs

Info

ID:	247123
PubChem CID:	103067974
Reduced:	ClNSC10H20 (1)
Stoich.:	ABCD10E20 (1)
Weight, g/mol:	227.144077
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	2.08
IP(EA), eV:	-8.56(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-1-[2-(chloromethyl)prop-2-enyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

Drug info:

PubChemData

Smile

CC(CCSC)N(C)CC(=C)CCl

DOS

IR

Vibrations