Geometry & MOs

Info

ID:	213378
PubChem CID:	81063575
Reduced:	NF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-281.98
Dipole, Da:	2.45
IP(EA), eV:	-10.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations