Geometry & MOs

Info

ID:	293162
PubChem CID:	117375241
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	4.93
IP(EA), eV:	-8.59(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,2-dihydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations