Geometry & MOs

Info

ID:

423667

PubChem CID:

135119962

Reduced:

FN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

337.130553

ΔHf, kcal/mol:

-211.44

Dipole, Da:

8.35

IP(EA), eV:

 -8.65(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(CCCNC(=O)CCC4=CC(=C(O3)C=C4)OC)C(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations