Geometry & MOs

Info

ID:	341152
PubChem CID:	127263587
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	248.129156
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	3.81
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C1CC2)COC3=NC=C(C=C3)F

DOS

IR

Vibrations