Geometry & MOs

Info

ID:

429747

PubChem CID:

135169798

Reduced:

O2F3N7C25H28 (1)

Stoich.:

A2B3C7D25E28 (1)

Weight, g/mol:

472.25623

ΔHf, kcal/mol:

-124.5

Dipole, Da:

7.22

IP(EA), eV:

 -8.78(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-4-[[(3Z)-3-(aminomethylidene)-4-(4,5-dimethylpyridin-3-yl)imino-5,5,5-trifluoropent-1-en-2-yl]amino]-2-(1-methylpiperidin-4-yl)hexa-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1C)N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)OC4CCN(CC4)C)CN=C)C(F)(F)F

DOS

IR

Vibrations