Geometry & MOs

Info

ID:	285554
PubChem CID:	104112536
Reduced:	BrNO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	324.99497
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	5.29
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromophenyl)methoxy]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)Br)OC2=NC(=CO2)C(=O)O

DOS

IR

Vibrations