Geometry & MOs

Info

ID:	55129
PubChem CID:	17389799
Reduced:	ClN2O8C15H19 (1)
Stoich.:	AB2C8D15E19 (1)
Weight, g/mol:	210.092376
ΔH_f, kcal/mol:	-296.34
Dipole, Da:	4.54
IP(EA), eV:	-8.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(pyrrolidin-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CC(NC1)CNC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations