Geometry & MOs

Info

ID:	297010
PubChem CID:	117605638
Reduced:	FO4N8C30H31 (1)
Stoich.:	AB4C8D30E31 (1)
Weight, g/mol:	326.99063
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	5.4
IP(EA), eV:	-8.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-fluorophenyl)-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=C(CN(CC2)C(=O)OC(C)(C)C)C3=C1C=CC(=C3)NC4=NC=C(C(=N4)C5=CN=C6N5N=CC=C6)F

DOS

IR

Vibrations