Geometry & MOs

Info

ID:

429523

PubChem CID:

135169572

Reduced:

ClF3N8H20C23 (1)

Stoich.:

AB3C8D20E23 (1)

Weight, g/mol:

417.162332

ΔHf, kcal/mol:

24.09

Dipole, Da:

6.19

IP(EA), eV:

 -8.5(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(2-hydroxyethylamino)-2-methylprop-1-enyl]-3-(methylideneamino)pyridin-2-yl]amino]-4-phenylthiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)N=C(/C(=C\N)/C(=C)NC3=CC(=C(N=C3)N/N=C\C=N)Cl)C(F)(F)F)C=CC=N2

DOS

IR

Vibrations