Geometry & MOs

Info

ID:	214038
PubChem CID:	81065890
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	4.9
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethoxycarbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations