Geometry & MOs

Info

ID:	322585
PubChem CID:	126670567
Reduced:	BrFN3O4C16H21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	299.209658
ΔH_f, kcal/mol:	-225.44
Dipole, Da:	5.86
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,3R,4S)-3,4-dimethylpyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@](C[C@H]1C(=O)NC2=NC(=CC=C2)Br)(CO)F

DOS

IR

Vibrations