Geometry & MOs

Info

ID:	67121
PubChem CID:	46505911
Reduced:	O3C26H30 (1)
Stoich.:	A3B26C30 (1)
Weight, g/mol:	537.27399
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	2.02
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC=CC=C2OCC)/C(=O)/C(=C/C3=CC=CC=C3OCC)/C1

DOS

IR

Vibrations