Geometry & MOs

Info

ID:	404024
PubChem CID:	135064518
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	288.126263
ΔH_f, kcal/mol:	79.64
Dipole, Da:	4.0
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-phenyl-3-[(E)-2-phenylethenyl]pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations