Geometry & MOs

Info

ID:	27456
PubChem CID:	821434
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-197.5
Dipole, Da:	6.51
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,7R,8S)-8-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-one

Drug info:

PubChemData

Smile

CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O

DOS

IR

Vibrations