Geometry & MOs

Info

ID:	47165
PubChem CID:	10530132
Reduced:	ClF3N3O5H23C24 (1)
Stoich.:	AB3C3D5E23F24 (1)
Weight, g/mol:	526.04422
ΔH_f, kcal/mol:	-321.84
Dipole, Da:	1.32
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium;dibromide

Drug info:

PubChemData

Smile

C[C@@](C(=O)NC1=C(C=C(C=C1)C(=O)N(C)[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)Cl)(C(F)(F)F)O

DOS

IR

Vibrations