Geometry & MOs

Info

ID:	55091
PubChem CID:	17389754
Reduced:	ClN2F3O8C16H18 (1)
Stoich.:	AB2C3D8E16F18 (1)
Weight, g/mol:	278.079761
ΔH_f, kcal/mol:	-480.34
Dipole, Da:	7.06
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations