Geometry & MOs

Info

ID:

429590

PubChem CID:

135169639

Reduced:

O2N5H33C56 (1)

Stoich.:

A2B5C33D56 (1)

Weight, g/mol:

310.06776

ΔHf, kcal/mol:

245.53

Dipole, Da:

2.95

IP(EA), eV:

 -8.26(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(1,6-naphthyridin-5-ylimino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC=CC(=C6)C7=CC(=CC=C7)N8C9=C(C1=C8C2=C(C=C1)N=C(O2)C1=CC=CC=C1)C1=CC=CC=C1C=C9

DOS

IR

Vibrations