Geometry & MOs

Info

ID:	67138
PubChem CID:	46505937
Reduced:	NO7C28H33 (1)
Stoich.:	AB7C28D33 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	2.28
IP(EA), eV:	-7.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC(=C(C=C3OC)OC)OC)/C(=O)/C(=C/C4=CC(=C(C=C4OC)OC)OC)/C1CC2

DOS

IR

Vibrations