Geometry & MOs

Info

ID:	67146
PubChem CID:	46505951
Reduced:	NO5C34H45 (1)
Stoich.:	AB5C34D45 (1)
Weight, g/mol:	459.277344
ΔH_f, kcal/mol:	-158.97
Dipole, Da:	5.0
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/C4N(C2CC4)C)OCC

DOS

IR

Vibrations