Geometry & MOs

Info

ID:	225439
PubChem CID:	85786869
Reduced:	NBr2O4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	4.18
IP(EA), eV:	-8.85(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-(4-methoxyphenyl)-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=O)C(=C(C2=O)Br)Br)OC

DOS

IR

Vibrations