Geometry & MOs

Info

ID:	67004
PubChem CID:	46505685
Reduced:	O3C26H30 (1)
Stoich.:	A3B26C30 (1)
Weight, g/mol:	541.282823
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	3.2
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(OC1=CC=CC=C1/C=C/2\C(=O)/C(=C\C3=CC=CC=C3OC(C)C)/CCC2)C

DOS

IR

Vibrations