Geometry & MOs

Info

ID:	326559
PubChem CID:	126687778
Reduced:	FNC6H6 (3)
Stoich.:	ABC6D6 (3)
Weight, g/mol:	309.170434
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	3.99
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-6-azaspiro[2.5]octane

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)C(F)(F)F)CN3CCC4=NC=NC=C4C3

DOS

IR

Vibrations