Geometry & MOs

Info

ID:	293819
PubChem CID:	117403179
Reduced:	ClNF2O2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	259.077535
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	4.99
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-chloro-2-fluoro-5-propan-2-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)F)C2(CC2)N=C=O)F

DOS

IR

Vibrations