Geometry & MOs

Info

ID:	425356
PubChem CID:	135126020
Reduced:	FSN3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	430.24811
ΔH_f, kcal/mol:	-154.04
Dipole, Da:	4.99
IP(EA), eV:	-9.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2-oxo-2-piperidin-1-ylethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]-1-bicyclo[2.2.2]octanyl]acetonitrile

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)NC(=O)O)C)C2=C(C=CC(=C2)C=C)F

DOS

IR

Vibrations