Geometry & MOs

Info

ID:

439540

PubChem CID:

135229316

Reduced:

O3N7C20H23 (1)

Stoich.:

A3B7C20D23 (1)

Weight, g/mol:

864.41434

ΔHf, kcal/mol:

14.19

Dipole, Da:

4.72

IP(EA), eV:

 -7.56(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[1-[2-[[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-oxo-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-3-yl]oxymethyl]prop-2-enoyl]piperidin-3-yl]-3-propan-2-ylimidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=CN(C(=O)C3=C2N=CN3)CC4C5C4CN(C5)C(=O)C=C

DOS

IR

Vibrations