Geometry & MOs

Info

ID:	264250
PubChem CID:	103446278
Reduced:	ClFO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	3.48
IP(EA), eV:	-9.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3,6-dimethyloctan-4-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)CC1=C(C=CC(=C1)Cl)F)O

DOS

IR

Vibrations