Geometry & MOs

Info

ID:	322734
PubChem CID:	126670934
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	321.175165
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	4.47
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,4R)-4-fluoro-4-(fluoromethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CN1CCC(CC1)CNCC2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations