Geometry & MOs

Info

ID:	374191
PubChem CID:	131325288
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	138.042927
ΔH_f, kcal/mol:	31.22
Dipole, Da:	3.76
IP(EA), eV:	-9.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethyl)-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(N=CN=C1OCC#N)N

DOS

IR

Vibrations