Geometry & MOs

Info

ID:	449238
PubChem CID:	135297084
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	5.86
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-benzyl-3,6-diazabicyclo[3.2.0]heptane

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@@H]1CN(C[C@H]1CN=[N+]=[N-])CC2=CC=CC=C2

DOS

IR

Vibrations