Geometry & MOs

Info

ID:	56887
PubChem CID:	22394734
Reduced:	NF3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	427.197043
ΔH_f, kcal/mol:	-328.9
Dipole, Da:	3.39
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-oxo-5-[3-oxo-4-[2-(trifluoromethyl)phenyl]butyl]pyrrolidin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1/C=C/C(=O)CC2=CC=CC=C2C(F)(F)F)CCCCCCC(=O)O

DOS

IR

Vibrations