Geometry & MOs

Info

ID:	55083
PubChem CID:	17389744
Reduced:	Cl2N2O4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	244.053404
ΔH_f, kcal/mol:	-174.99
Dipole, Da:	10.96
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations