Geometry & MOs

Info

ID:	52715
PubChem CID:	12015755
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	1.99
IP(EA), eV:	-8.81(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@H]2CCCN3[C@H]2[C@H](C1)COC3

DOS

IR

Vibrations