Geometry & MOs

Info

ID:	38137
PubChem CID:	8027372
Reduced:	Cl2N2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	205.170474
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	4.47
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,5-dimethyl-N-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)CNC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations