Geometry & MOs

Info

ID:	50444
PubChem CID:	12012981
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	2.38
IP(EA), eV:	-9.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-hydroxyethyl]-2-phenylcyclooctan-1-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@]1(CCCCCCC1=O)C2=CC=CC=C2)O

DOS

IR

Vibrations