Geometry & MOs

Info

ID:	382752
PubChem CID:	134974078
Reduced:	BC9O9H10 (1)
Stoich.:	AB9C9D10 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-417.22
Dipole, Da:	6.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768846
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-(3-methylbut-2-enyl) (2S)-pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

[B@@-]12(CC(=O)[C@@H](O1)CC(=O)O)O[C@H](C(=O)O2)CC(=O)O

DOS

IR

Vibrations