Geometry & MOs

Info

ID:	90036
PubChem CID:	49965892
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	433.261694
ΔH_f, kcal/mol:	15.41
Dipole, Da:	4.7
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-propan-2-yl-3,5-bis[(4-propan-2-yloxyphenyl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC

DOS

IR

Vibrations