Geometry & MOs

Info

ID:	294881
PubChem CID:	117502209
Reduced:	NC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	314.92978
ΔH_f, kcal/mol:	109.28
Dipole, Da:	2.7
IP(EA), eV:	-8.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)CC5CC5)N

DOS

IR

Vibrations