Geometry & MOs

Info

ID:	385861
PubChem CID:	134980161
Reduced:	O6C21H28 (1)
Stoich.:	A6B21C28 (1)
Weight, g/mol:	266.09185
ΔH_f, kcal/mol:	-236.57
Dipole, Da:	2.93
IP(EA), eV:	-9.4(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(1S,2S,3S,4R)-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanone

Drug info:

PubChemData

Smile

CCO[C@@H]1C=C[C@]([C@@H]([C@@H]1C(=O)OC)C(=O)O)(C)CCOCC2=CC=CC=C2

DOS

IR

Vibrations