Geometry & MOs

Info

ID:	22763
PubChem CID:	598620
Reduced:	N2O5H10C12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	262.058971
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	6.14
IP(EA), eV:	-10.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(4-cyanobuta-1,3-dienyl)-1,2-oxazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(ON=C1C=CC=CC#N)C(=O)OC

DOS

IR

Vibrations