Geometry & MOs

Info

ID:	247102
PubChem CID:	103067665
Reduced:	ClNC12H22 (1)
Stoich.:	ABC12D22 (1)
Weight, g/mol:	227.144077
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	2.01
IP(EA), eV:	-8.66(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=C)CCl)C1CCCCCC1

DOS

IR

Vibrations