Geometry & MOs

Info

ID:

321870

PubChem CID:

126667101

Reduced:

F2O3N8C26H28 (1)

Stoich.:

A2B3C8D26E28 (1)

Weight, g/mol:

479.24673

ΔHf, kcal/mol:

-33.97

Dipole, Da:

10.46

IP(EA), eV:

 -8.22(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(2,5,6-trimethylthieno[2,3-b]pyrrol-4-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=N2)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC(F)F)N5CCC(CC5)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations