Geometry & MOs

Info

ID:

321890

PubChem CID:

126667229

Reduced:

ON8C26H34 (1)

Stoich.:

AB8C26D34 (1)

Weight, g/mol:

486.285558

ΔHf, kcal/mol:

70.79

Dipole, Da:

5.86

IP(EA), eV:

 -7.66(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-3-N-methyl-1-N-[4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=N2)C3=CC=NC(N3)NC4=C(C=C(C(=C4)N)N5CCC(CC5)N(C)C)OC

DOS

IR

Vibrations