Geometry & MOs

Info

ID:	55221
PubChem CID:	17389916
Reduced:	N2F3O8C16H19 (1)
Stoich.:	A2B3C8D16E19 (1)
Weight, g/mol:	244.118733
ΔH_f, kcal/mol:	-503.28
Dipole, Da:	5.76
IP(EA), eV:	-9.17(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations