Geometry & MOs

Info

ID:	67048
PubChem CID:	46505761
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	497.241352
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	3.2
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations