Geometry & MOs

Info

ID:

166429

PubChem CID:

74688914

Reduced:

ClOF4N5H15C19 (1)

Stoich.:

ABC4D5E15F19 (1)

Weight, g/mol:

374.051928

ΔHf, kcal/mol:

-109.6

Dipole, Da:

9.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.998346

Charge, e:

 1

Chem-info

IUPAC name:

[1-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-cyanopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1C(ON=C1C2=NN(C=C2)C3=CC=C(C=C3)F)CNC4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

DOS

IR

Vibrations