Geometry & MOs

Info

ID:	232360
PubChem CID:	87576069
Reduced:	N3H15C22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	524.269788
ΔH_f, kcal/mol:	195.1
Dipole, Da:	1.94
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[8-[[1-(azetidin-3-yl)-3,3-difluoroazetidin-1-ium-1-yl]methyl]-2-(2-ethylbenzimidazol-1-yl)-9-methylpurin-6-yl]morpholine

Drug info:

PubChemData

Smile

CC#N.[C-]#[N+]C1=C(C(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations