Geometry & MOs

Info

ID:	339279
PubChem CID:	127260658
Reduced:	ClO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	5.56
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-hydroxy-3,3,5-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/CCCC(C2=O)Cl

DOS

IR

Vibrations