Geometry & MOs

Info

ID:	213493
PubChem CID:	81063915
Reduced:	BrFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-161.61
Dipole, Da:	2.89
IP(EA), eV:	-10.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations