Geometry & MOs

Info

ID:

379617

PubChem CID:

134451553

Reduced:

Cl2O3N6H22C23 (1)

Stoich.:

A2B3C6D22E23 (1)

Weight, g/mol:

450.237939

ΔHf, kcal/mol:

-37.34

Dipole, Da:

6.9

IP(EA), eV:

 -8.91(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(aminomethyl)phenyl]-6-[[4-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCC(CC2)(CN3C=NC4=C(C3=O)C=C(N4C5=CC=C(C=C5)Cl)Cl)O

DOS

IR

Vibrations