Geometry & MOs

Info

ID:	293160
PubChem CID:	117375238
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	7.16
IP(EA), eV:	-8.51(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(4-methoxy-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C/C(=C\2/C=C(ON2)C(=O)O)/C1=O)OC

DOS

IR

Vibrations