Geometry & MOs

Info

ID:	67129
PubChem CID:	46505924
Reduced:	OC12H14 (3)
Stoich.:	AB12C14 (3)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	2.87
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-2,4-bis(furan-2-ylmethylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC=C(C=C3)OCCCCC)/C2=O)C4=CC=CC=C4

DOS

IR

Vibrations