Geometry & MOs

Info

ID:	271814
PubChem CID:	103693005
Reduced:	ON2F3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	276.95052
ΔH_f, kcal/mol:	-180.85
Dipole, Da:	2.56
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4-bromo-3-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C(CC(F)(F)F)N

DOS

IR

Vibrations