Geometry & MOs

Info

ID:	67141
PubChem CID:	46505943
Reduced:	NOF6H19C24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	533.00242
ΔH_f, kcal/mol:	-283.37
Dipole, Da:	2.14
IP(EA), eV:	-9.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC=C(C=C3)C(F)(F)F)/C(=O)/C(=C/C4=CC=C(C=C4)C(F)(F)F)/C1CC2

DOS

IR

Vibrations