Geometry & MOs

Info

ID:	407887
PubChem CID:	135080642
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	4.33
IP(EA), eV:	-9.72(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,6S)-2-hydroxy-6-methyl-2-phenylcyclohexyl]ethanone

Drug info:

PubChemData

Smile

CCC[C@@H]1CC(=CC1=O)OC

DOS

IR

Vibrations