Geometry & MOs

Info

ID:	20680
PubChem CID:	585165
Reduced:	O2F5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	312.114871
ΔH_f, kcal/mol:	-366.77
Dipole, Da:	3.49
IP(EA), eV:	-10.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantylmethyl 2,2,3,3,3-pentafluoropropanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)COC(=O)C(C(F)(F)F)(F)F

DOS

IR

Vibrations