Geometry & MOs

Info

ID:	295141
PubChem CID:	117518434
Reduced:	BrNO5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	353.02627
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	8.39
IP(EA), eV:	-9.37(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1C3=CC(=NO3)C(=O)O)Br)OCCCO2

DOS

IR

Vibrations