Geometry & MOs

Info

ID:	383408
PubChem CID:	134975114
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	23.9
Dipole, Da:	2.99
IP(EA), eV:	-8.44(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@H]([C@@H]2C1)CN4C3CCCC4=O

DOS

IR

Vibrations