Geometry & MOs

Info

ID:	90011
PubChem CID:	49965805
Reduced:	OSN4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	497.204967
ΔH_f, kcal/mol:	33.62
Dipole, Da:	2.08
IP(EA), eV:	-8.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N

DOS

IR

Vibrations