Geometry & MOs

Info

ID:	55245
PubChem CID:	17389953
Reduced:	Cl2N2O8C15H18 (1)
Stoich.:	A2B2C8D15E18 (1)
Weight, g/mol:	244.053404
ΔH_f, kcal/mol:	-350.41
Dipole, Da:	11.88
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-(pyrrolidin-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations