Geometry & MOs

Info

ID:	127593
PubChem CID:	51007788
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	306.06792
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	2.4
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[(1S,2S,3R,4R)-3-(1,1,2,2,2-pentafluoroethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@@H]2C[C@H]1[C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations