Geometry & MOs

Info

ID:	15786
PubChem CID:	450527
Reduced:	INO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	425.0646
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-(125I)iodanyl-2-phenylpent-4-enoate

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)OC(=O)C(CC=C[125I])(C3=CC=CC=C3)O

DOS

IR

Vibrations