Geometry & MOs

Info

ID:	295195
PubChem CID:	117521060
Reduced:	BrFN2O3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	401.126323
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	2.19
IP(EA), eV:	-9.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C3=NNC(=C3)C(=O)O)F

DOS

IR

Vibrations