Geometry & MOs

Info

ID:	203475
PubChem CID:	79836259
Reduced:	O2F3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-252.0
Dipole, Da:	6.22
IP(EA), eV:	-10.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hexanoyl-2,2-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(CCCC(C1=O)C(=O)C(F)(F)F)C

DOS

IR

Vibrations