Geometry & MOs

Info

ID:	388470
PubChem CID:	134989244
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	248.158786
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	4.32
IP(EA), eV:	-10.18(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-1,3,6,6-tetramethylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C1=CC=C(C1)C=O

DOS

IR

Vibrations