Geometry & MOs

Info

ID:	50443
PubChem CID:	12012980
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	3.2
IP(EA), eV:	-9.59(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@]1(CCCCCC1=O)C)O

DOS

IR

Vibrations