Geometry & MOs

Info

ID:	382782
PubChem CID:	134974127
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	294.16198
ΔH_f, kcal/mol:	-219.07
Dipole, Da:	3.18
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R,7R)-5-(2-adamantylidene)-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1[C@@H](CCCN1[C@H](CO)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations