Geometry & MOs

Info

ID:	59555
PubChem CID:	24875294
Reduced:	FO2N11H20C23 (1)
Stoich.:	AB2C11D20E23 (1)
Weight, g/mol:	402.04699
ΔH_f, kcal/mol:	106.63
Dipole, Da:	9.65
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(18F)fluoranylethyl (2S,3S)-3-(4-iodophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)C(=O)C4=CNC5=C4C(=CN=C5N6C(=CC=N6)N)F

DOS

IR

Vibrations