Geometry & MOs

Info

ID:	67026
PubChem CID:	46505722
Reduced:	OC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	535.01807
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	3.28
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(3-bromo-4-methoxyphenyl)methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC=C(C=C3)CC)/C2=O)C

DOS

IR

Vibrations