Geometry & MOs

Info

ID:

429655

PubChem CID:

135169705

Reduced:

OF3N9H14C21 (1)

Stoich.:

AB3C9D14E21 (1)

Weight, g/mol:

432.132859

ΔHf, kcal/mol:

33.25

Dipole, Da:

10.32

IP(EA), eV:

 -9.68(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-3-N-[(2E)-4-chloro-1-methyliminopenta-2,4-dien-2-yl]-2-[N-naphthalen-1-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1C=CC2=NC=CC(=C21)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)C#N)C(F)(F)F

DOS

IR

Vibrations