Geometry & MOs

Info

ID:

441642

PubChem CID:

135238295

Reduced:

ON6H24C26 (1)

Stoich.:

AB6C24D26 (1)

Weight, g/mol:

609.235236

ΔHf, kcal/mol:

111.27

Dipole, Da:

7.71

IP(EA), eV:

 -8.76(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3-[4-(dimethylamino)but-2-enoyl-methylamino]-5-methoxyphenyl]-3-(2-methoxypyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=CC(=C2)C3=CC(=CC=C3)NC(=O)/C=C/CN(C)C)C4=CC(=NC=C4)C#N

DOS

IR

Vibrations