Geometry & MOs

Info

ID:	392981
PubChem CID:	135018763
Reduced:	O6H20C27 (1)
Stoich.:	A6B20C27 (1)
Weight, g/mol:	216.091708
ΔH_f, kcal/mol:	-142.61
Dipole, Da:	5.22
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8R,8aR)-6-chloro-8-methoxy-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

COC(=O)[C@@]12COC3=CC=CC=C3[C@@H]1C4=C(C5=CC=CC=C5C(=O)O4)O[C@@H]2C6=CC=CC=C6

DOS

IR

Vibrations