Geometry & MOs

Info

ID:	341117
PubChem CID:	127263552
Reduced:	OCl2N2C6H16 (1)
Stoich.:	AB2C2D6E16 (1)
Weight, g/mol:	514.300264
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	5.7
IP(EA), eV:	-9.18(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-8-carboxylic acid;(1S,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-8-carboxylic acid;oxalic acid

Drug info:

PubChemData

Smile

C1CNC[C@@H]([C@@H]1CN)O.Cl.Cl

DOS

IR

Vibrations