Geometry & MOs

Info

ID:	55267
PubChem CID:	17389981
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	210.092376
ΔH_f, kcal/mol:	-145.93
Dipole, Da:	3.37
IP(EA), eV:	-8.32(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1CN(CC1CN)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

DOS

IR

Vibrations