Geometry & MOs

Info

ID:	294534
PubChem CID:	117467926
Reduced:	ClNF2O4H6C11 (1)
Stoich.:	ABC2D4E6F11 (1)
Weight, g/mol:	289.051714
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	3.22
IP(EA), eV:	-9.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)Cl)C2=CC(=NO2)C(=O)O)F

DOS

IR

Vibrations