Geometry & MOs

Info

ID:

237137

PubChem CID:

92717608

Reduced:

NO5C23H27 (1)

Stoich.:

AB5C23D27 (1)

Weight, g/mol:

497.24269

ΔHf, kcal/mol:

-169.93

Dipole, Da:

5.07

IP(EA), eV:

 -8.96(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations