Geometry & MOs

Info

ID:	59827
PubChem CID:	24898751
Reduced:	OF4N4H20C25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	413.02627
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	7.29
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromospiro[1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

Drug info:

PubChemData

Smile

C1CNCCC1NC2=NC3=C(C=C[N+](=C3C4=C(C=CC=C4F)F)[O-])C(=C2)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations