Geometry & MOs

Info

ID:

429700

PubChem CID:

135169751

Reduced:

O2N5H25C44 (1)

Stoich.:

A2B5C25D44 (1)

Weight, g/mol:

503.179376

ΔHf, kcal/mol:

206.5

Dipole, Da:

2.81

IP(EA), eV:

 -8.41(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-quinolin-5-yliminopent-1-en-2-yl]amino]-2-(4-ethyltriazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC5=CC=CC=C5C=C4C6=C3C7=C(C=C6)N=C(O7)C8=CC=CC=C8)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations