Geometry & MOs

Info

ID:	329233
PubChem CID:	126732828
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	305.129694
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	6.51
IP(EA), eV:	-8.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5R)-3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC2=C(C=C1)C3=C(N2)C=C(C=C3)OCCCN4C=CC(=O)NC4=O

DOS

IR

Vibrations