Geometry & MOs

Info

ID:	67142
PubChem CID:	46505944
Reduced:	NBr2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	547.329774
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	6.17
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,4-bis[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations