Geometry & MOs

Info

ID:	67144
PubChem CID:	46505948
Reduced:	NO5C30H37 (1)
Stoich.:	AB5C30D37 (1)
Weight, g/mol:	485.267842
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	4.06
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(OC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C)OC)/C4N(C2CC4)C)OC)C

DOS

IR

Vibrations