Geometry & MOs

Info

ID:	55127
PubChem CID:	17389797
Reduced:	ClN2O8C15H19 (1)
Stoich.:	AB2C8D15E19 (1)
Weight, g/mol:	210.092376
ΔH_f, kcal/mol:	-323.56
Dipole, Da:	2.73
IP(EA), eV:	-8.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(NC1)CNC2=CC=CC=C2Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations