Geometry & MOs

Info

ID:	24545
PubChem CID:	610824
Reduced:	O2F3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	324.133714
ΔH_f, kcal/mol:	-237.26
Dipole, Da:	3.97
IP(EA), eV:	-9.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyl-2-adamantyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C2CC3CC1C(C(C2)C3OC(=O)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations