Geometry & MOs

Info

ID:	374727
PubChem CID:	131342555
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	3.05
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyanoethyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)N=C(O2)CN)OC

DOS

IR

Vibrations