Geometry & MOs

Info

ID:	326573
PubChem CID:	126687810
Reduced:	OF3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	293.139134
ΔH_f, kcal/mol:	-197.47
Dipole, Da:	3.86
IP(EA), eV:	-9.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-2-azabicyclo[2.2.1]hept-3-ene

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)C(F)(F)F)CO

DOS

IR

Vibrations