Geometry & MOs

Info

ID:	396198
PubChem CID:	135027699
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	85.33
Dipole, Da:	6.23
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5'R)-7'-benzylspiro[1,3-dioxolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]-3'-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)OC)CN=[N+]=[N-]

DOS

IR

Vibrations