Geometry & MOs

Info

ID:	21020
PubChem CID:	586789
Reduced:	ClNC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	173.097127
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	2.92
IP(EA), eV:	-9.05(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CCN2)Cl

DOS

IR

Vibrations