Geometry & MOs

Info

ID:	193694
PubChem CID:	78425270
Reduced:	Br2O2C11H11 (1)
Stoich.:	A2B2C11D11 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	2.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784602
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,6-dimethyl-2,5-diazaspiro[3.4]octan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCC(C(=O)[O-])Br)Br

DOS

IR

Vibrations