Geometry & MOs

Info

ID:	213203
PubChem CID:	81063156
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	293.106336
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	2.99
IP(EA), eV:	-10.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C#C

DOS

IR

Vibrations