Geometry & MOs

Info

ID:

427434

PubChem CID:

135158932

Reduced:

N2F4O4C47H54 (1)

Stoich.:

A2B4C4D47E54 (1)

Weight, g/mol:

449.234448

ΔHf, kcal/mol:

-282.37

Dipole, Da:

11.43

IP(EA), eV:

 -8.4(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C2=C(C=C(C=C2)/C(=N\OC(=O)C)/C3=CC=C(C=C3)OCC(C(F)F)(F)F)C4=CC(=C(C(=C41)CC)/C=C\C)C(=O)C5=C(CC(C=C5C)C)C

DOS

IR

Vibrations