Geometry & MOs

Info

ID:	360013
PubChem CID:	127300162
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-161.85
Dipole, Da:	2.35
IP(EA), eV:	-9.2(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NCCS(=O)(=O)NCC3CCC3)C)C

DOS

IR

Vibrations