Geometry & MOs

Info

ID:	340933
PubChem CID:	127263368
Reduced:	BrClN3C7H9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	29.37
Dipole, Da:	2.26
IP(EA), eV:	-10.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(dibenzylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C2=NC=C(C=N2)Br)N.Cl

DOS

IR

Vibrations