Geometry & MOs

Info

ID:	167319
PubChem CID:	74809614
Reduced:	FN3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	366.209399
ΔH_f, kcal/mol:	6.08
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756302
Charge, e:	1

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Drug info:

PubChemData

Smile

CN1C=CN=C1C[NH+]2CCCC(C2)CCC3=CC(=CC=C3)F

DOS

IR

Vibrations