Geometry & MOs

Info

ID:	231488
PubChem CID:	87573878
Reduced:	FSN2O4H11C12 (1)
Stoich.:	ABC2D4E11F12 (1)
Weight, g/mol:	345.201654
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.1
IP(EA), eV:	-9.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3,5-difluorophenyl)pyridin-3-yl]-1,4-diazabicyclo[4.3.1]decane;methane

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1CC2=C3N1C(=O)C=CC3=NC=C2F

DOS

IR

Vibrations