Geometry & MOs

Info

ID:	38136
PubChem CID:	8027371
Reduced:	Cl2N2C11H15 (1)
Stoich.:	A2B2C11D15 (1)
Weight, g/mol:	244.053404
ΔH_f, kcal/mol:	13.81
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756326
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1C[C@@H]([NH2+]C1)CNC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations