Geometry & MOs

Info

ID:	127646
PubChem CID:	51010071
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	404.238286
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	4.03
IP(EA), eV:	-9.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-methyl-5-(phenylmethoxymethyl)bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC[C@]12C(=O)C=C[C@@H](O1)CO2

DOS

IR

Vibrations