Geometry & MOs

Info

ID:	55220
PubChem CID:	17389913
Reduced:	ClFN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	424.10935
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	5.47
IP(EA), eV:	-8.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations