Geometry & MOs

Info

ID:	67016
PubChem CID:	46505707
Reduced:	NO7C32H35 (1)
Stoich.:	AB7C32D35 (1)
Weight, g/mol:	502.95547
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	5.89
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-1-benzyl-3,5-bis[(5-bromofuran-2-yl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C=C/2\CN(C/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/C2=O)CC4=CC=CC=C4)OC)OC

DOS

IR

Vibrations