Geometry & MOs

Info

ID:	293163
PubChem CID:	117375246
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	5.13
IP(EA), eV:	-9.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)C(CO)O

DOS

IR

Vibrations