Geometry & MOs

Info

ID:	26144
PubChem CID:	639213
Reduced:	BrO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	157.037508
ΔH_f, kcal/mol:	-112.32
Dipole, Da:	0.33
IP(EA), eV:	-8.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CCC2=CC(=C(C=C2OC)Br)OC)OC)Br

DOS

IR

Vibrations