Geometry & MOs

Info

ID:	213914
PubChem CID:	81065545
Reduced:	N2F3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-283.57
Dipole, Da:	4.98
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(phenylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations