Geometry & MOs

Info

ID:	80730
PubChem CID:	49836463
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	346.095357
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	1.27
IP(EA), eV:	-9.52(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzoyl-4-(4-cyanophenyl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)CC(C1=COC=C1)OCC(=C)C=C

DOS

IR

Vibrations