Geometry & MOs

Info

ID:	193835
PubChem CID:	78444343
Reduced:	SN2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	346.173094
ΔH_f, kcal/mol:	5.55
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779093
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-methoxyethanimine

Drug info:

PubChemData

Smile

C1C2C3C(C([NH+]2CS1)C=CC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations