Geometry & MOs

Info

ID:

237124

PubChem CID:

92717521

Reduced:

N3O4C27H29 (1)

Stoich.:

A3B4C27D29 (1)

Weight, g/mol:

483.22704

ΔHf, kcal/mol:

-113.54

Dipole, Da:

7.1

IP(EA), eV:

 -8.35(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C3=C4C(=C(N3C(CO2)(C)C)C5=CC=C(C=C5)OC)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations