Geometry & MOs

Info

ID:

379417

PubChem CID:

134419371

Reduced:

ClN2O10C38H45 (1)

Stoich.:

AB2C10D38E45 (1)

Weight, g/mol:

337.19026

ΔHf, kcal/mol:

-350.54

Dipole, Da:

4.83

IP(EA), eV:

 -9.35(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(1-ethylpyrazol-4-yl)pyridin-2-yl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1/C=C(/[C@]23[C@@H](CC(C(=O)O[C@@H]1[C@@H](C)OC(=O)C(=O)NCC4=CC(=CC=C4)Cl)OC)C=CC5(C2[C@@H]([C@H]([C@H](C5)OC(=O)C6=CC=CN6)C)O)CO3)\C

DOS

IR

Vibrations