Geometry & MOs

Info

ID:	341136
PubChem CID:	127263571
Reduced:	N2O4F6C11H16 (1)
Stoich.:	A2B4C6D11E16 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-452.75
Dipole, Da:	3.47
IP(EA), eV:	-9.24(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CN1CC2C1CNCC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations