Geometry & MOs

Info

ID:	449825
PubChem CID:	135301871
Reduced:	OF2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	303.173548
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	4.72
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(4-methylphenyl)ethynyl]pyridin-2-yl]-3,8-diazabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)/C(=C/C=NCC(F)F)/N

DOS

IR

Vibrations