Geometry & MOs

Info

ID:	437642
PubChem CID:	135226749
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-181.32
Dipole, Da:	2.04
IP(EA), eV:	-9.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-1-cyano-2-[2-fluoro-4-[1-(oxetan-3-yl)piperidin-3-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CN(CC2C1)C(O)OCC3=CC=CC=C3

DOS

IR

Vibrations