Geometry & MOs

Info

ID:	293157
PubChem CID:	117375234
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-118.2
Dipole, Da:	6.41
IP(EA), eV:	-8.71(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=C(ON2)C(=O)O)/C(=O)C(=C1C)O

DOS

IR

Vibrations