Geometry & MOs

Info

ID:	340966
PubChem CID:	127263401
Reduced:	ClN2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	5.71
IP(EA), eV:	-9.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-benzyl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)N1CC2(C1)CCNCC2.Cl

DOS

IR

Vibrations