Geometry & MOs

Info

ID:

421752

PubChem CID:

135116540

Reduced:

ClN5O6H28C31 (1)

Stoich.:

AB5C6D28E31 (1)

Weight, g/mol:

329.148789

ΔHf, kcal/mol:

-119.95

Dipole, Da:

7.26

IP(EA), eV:

 -9.17(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1-methylimidazo[1,2-b]pyrazol-7-yl)methanone

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC(=NN5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations