Geometry & MOs

Info

ID:	138114
PubChem CID:	52315771
Reduced:	FN3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	230.165723
ΔH_f, kcal/mol:	35.0
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022373
Charge, e:	1

Chem-info

IUPAC name:

2-[(3S)-1-propan-2-ylpyrrolidin-1-ium-3-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CC[NH+](C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations