Geometry & MOs

Info

ID:

302156

PubChem CID:

124349706

Reduced:

ClN2O4C21H23 (1)

Stoich.:

AB2C4D21E23 (1)

Weight, g/mol:

411.274659

ΔHf, kcal/mol:

-146.83

Dipole, Da:

1.72

IP(EA), eV:

 -9.34(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1C[C@@]2(CC(=O)C3=C(O2)C=CC(=C3)Cl)[C@H]4[C@@H]1[C@H]4C(=O)N5CCC(CC5)C(=O)N

DOS

IR

Vibrations