Geometry & MOs

Info

ID:	341080
PubChem CID:	127263515
Reduced:	Cl3N6C10H13 (1)
Stoich.:	A3B6C10D13 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	31.91
Dipole, Da:	7.67
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)NC2=NC(=NC3=NNC(=C32)Cl)Cl.Cl

DOS

IR

Vibrations