Geometry & MOs

Info

ID:	259161
PubChem CID:	103158437
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-247.78
Dipole, Da:	9.08
IP(EA), eV:	-9.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(3-methylbutan-2-ylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations