Geometry & MOs

Info

ID:	166289
PubChem CID:	74664612
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	353.202917
ΔH_f, kcal/mol:	31.56
Dipole, Da:	4.86
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCC1C2CN(CCC2NN1)C(=O)C3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations