Geometry & MOs

Info

ID:	401266
PubChem CID:	135050739
Reduced:	AlLiO2C22H40 (1)
Stoich.:	ABC2D22E40 (1)
Weight, g/mol:	280.084792
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	9.44
IP(EA), eV:	-8.96(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-3-phenyl-4H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

[Li+].CCCC(C#C[Al-](C)(C)C#CC(CCC)OC(C)(C)C)OC(C)(C)C

DOS

IR

Vibrations