Geometry & MOs

Info

ID:	293156
PubChem CID:	117375233
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	7.33
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=NOC(=C2)C(=O)O)OC)O

DOS

IR

Vibrations