Geometry & MOs

Info

ID:	322759
PubChem CID:	126671039
Reduced:	FC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	154.135765
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	2.2
IP(EA), eV:	-10.82(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C[C@H]1C)F

DOS

IR

Vibrations