Geometry & MOs

Info

ID:	410041
PubChem CID:	135082830
Reduced:	HOC8F13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-680.63
Dipole, Da:	2.28
IP(EA), eV:	-10.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-2,3,4-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C(=C=O)C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F

DOS

IR

Vibrations