Geometry & MOs

Info

ID:	341348
PubChem CID:	127264041
Reduced:	BrH2N3F6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	151.099714
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	6.12
IP(EA), eV:	-10.56(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-azaspiro[4.5]dec-2-en-4-one

Drug info:

PubChemData

Smile

C1=C(C2=NN=C(N2C=C1Br)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations