Geometry & MOs

Info

ID:	393873
PubChem CID:	135021879
Reduced:	OC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	288.11503
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	3.66
IP(EA), eV:	-8.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(4-ethylphenyl)ethenyl]-4-phenylcyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@@H](C(COCC1=CC=CC=C1)/C=C/C2=CC=CC=C2)O

DOS

IR

Vibrations