Geometry & MOs

Info

ID:

141903

PubChem CID:

52949074

Reduced:

NO12C38H69 (1)

Stoich.:

AB12C38D69 (1)

Weight, g/mol:

540.248504

ΔHf, kcal/mol:

-625.51

Dipole, Da:

6.2

IP(EA), eV:

 -9.28(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

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IR

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