Geometry & MOs

Info

ID:

325967

PubChem CID:

126685836

Reduced:

O9H26C31 (2)

Stoich.:

A9B26C31 (2)

Weight, g/mol:

380.159689

ΔHf, kcal/mol:

-556.39

Dipole, Da:

7.3

IP(EA), eV:

 -9.97(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(CC(O3)(COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

DOS

IR

Vibrations