Geometry & MOs

Info

ID:	295062
PubChem CID:	117513902
Reduced:	BrNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	336.99497
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	6.05
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-bromo-4-(oxolan-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OC2CC2)C3=CC(=NO3)C(=O)O

DOS

IR

Vibrations