Geometry & MOs

Info

ID:	226360
PubChem CID:	87350651
Reduced:	SO2N5F7H28C29 (1)
Stoich.:	AB2C5D7E28F29 (1)
Weight, g/mol:	274.077032
ΔH_f, kcal/mol:	-368.01
Dipole, Da:	6.38
IP(EA), eV:	-8.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dichloro-2-methyl-5-pyrrolidin-1-ium-1-ylpentan-2-amine;chloride

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC(=C(C=C2)C(F)(F)F)F)C3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations