Geometry & MOs

Info

ID:	67015
PubChem CID:	46505702
Reduced:	O5C31H40 (1)
Stoich.:	A5B31C40 (1)
Weight, g/mol:	545.241352
ΔH_f, kcal/mol:	-157.96
Dipole, Da:	3.27
IP(EA), eV:	-8.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=CC(=C(C=C2)OCC(C)C)OC)/C(=O)/C(=C\C3=CC(=C(C=C3)OCC(C)C)OC)/C1

DOS

IR

Vibrations