Geometry & MOs

Info

ID:	13556
PubChem CID:	301133
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	4.08
IP(EA), eV:	-9.46(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-phenylbicyclo[2.2.2]octan-2-one

Drug info:

PubChemData

Smile

C1CC2(CCC1(CC2=O)O)C3=CC=CC=C3

DOS

IR

Vibrations