Geometry & MOs

Info

ID:	381240
PubChem CID:	134971909
Reduced:	NOH4C5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	281.080041
ΔH_f, kcal/mol:	12.87
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.049015
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-(2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C([NH+]=C(O1)C2=COC(=N2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations