Geometry & MOs

Info

ID:

237139

PubChem CID:

92717623

Reduced:

O2N5C29H31 (1)

Stoich.:

A2B5C29D31 (1)

Weight, g/mol:

481.247775

ΔHf, kcal/mol:

24.18

Dipole, Da:

1.95

IP(EA), eV:

 -8.56(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(2-methylphenyl)methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CC(=O)N(C3=C2C(=NN3C4=NC(=CC(=N4)C)C)C)CC5=CC=CC=C5C

DOS

IR

Vibrations