Geometry & MOs

Info

ID:	371942
PubChem CID:	131281804
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	5.08
IP(EA), eV:	-9.91(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(C=CC(=C2OC1)C(=O)O)C#N

DOS

IR

Vibrations