Geometry & MOs

Info

ID:

443547

PubChem CID:

135259291

Reduced:

FO2N8C36H37 (1)

Stoich.:

AB2C8D36E37 (1)

Weight, g/mol:

453.212452

ΔHf, kcal/mol:

34.07

Dipole, Da:

4.31

IP(EA), eV:

 -8.51(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[9-(2-ethoxy-2-hydroxyethyl)purin-6-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)NN=C2C3=CC=C(C=C3)F)C(=O)[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C

DOS

IR

Vibrations