Geometry & MOs

Info

ID:	185687
PubChem CID:	77333252
Reduced:	NF3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	237.117238
ΔH_f, kcal/mol:	-256.75
Dipole, Da:	2.82
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-(2-boronoethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC)(CC(N)O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations