Geometry & MOs

Info

ID:	448417
PubChem CID:	135290756
Reduced:	NF3O4C10H14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	371.04946
ΔH_f, kcal/mol:	-327.7
Dipole, Da:	5.95
IP(EA), eV:	-10.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodopyridin-2-yl)-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)([C@@H](C(=O)O)NC(=O)OC1CC1)C(F)(F)F

DOS

IR

Vibrations