Geometry & MOs

Info

ID:	388472
PubChem CID:	134989246
Reduced:	IO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	276.190086
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	3.64
IP(EA), eV:	-10.11(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-1,3,8,8-tetramethylcyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H]([C@@H](CCO2)I)OC1=O

DOS

IR

Vibrations