Geometry & MOs

Info

ID:

88759

PubChem CID:

49956525

Reduced:

ClOSN3C13H15 (1)

Stoich.:

ABCD3E13F15 (1)

Weight, g/mol:

300.040788

ΔHf, kcal/mol:

51.65

Dipole, Da:

1.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750166

Charge, e:

 -2

Chem-info

IUPAC name:

4-pyrrolidin-1-yl-3-(trifluoromethyl)aniline;dichloride

Drug info:

PubChemData

Smile

C1CNCCC1N2C(=O)C=CC(=N2)C3=CC=CS3.[Cl-]

DOS

IR

Vibrations