Geometry & MOs

Info

ID:	67132
PubChem CID:	46505928
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	-116.76
Dipole, Da:	3.17
IP(EA), eV:	-8.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-2,4-bis[(2,5-dimethoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CN1C\2CCC1/C(=C\C3=C(C=CC(=C3)OC)OC)/C(=O)/C2=C\C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations