Geometry & MOs

Info

ID:	169293
PubChem CID:	75085435
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	508.96245
ΔH_f, kcal/mol:	89.01
Dipole, Da:	7.52
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis[(4-bromo-2-fluorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(NNN2)C3=CC=CC=C3C#N

DOS

IR

Vibrations