Geometry & MOs

Info

ID:	208204
PubChem CID:	80503615
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	6.55
IP(EA), eV:	-9.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-propylphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=C(C=NO2)C(=O)O

DOS

IR

Vibrations