Geometry & MOs

Info

ID:	174225
PubChem CID:	75743677
Reduced:	Cl2N2C14H21 (1)
Stoich.:	A2B2C14D21 (1)
Weight, g/mol:	291.267448
ΔH_f, kcal/mol:	8.84
Dipole, Da:	9.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.027596
Charge, e:	2

Chem-info

IUPAC name:

diethyl-[4-[[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]methyl]phenyl]azanium

Drug info:

PubChemData

Smile

CCN1CCCC1C[NH2+]CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations