Geometry & MOs

Info

ID:

307945

PubChem CID:

125310852

Reduced:

Cl2N3O3H15C21 (1)

Stoich.:

A2B3C3D15E21 (1)

Weight, g/mol:

434.195405

ΔHf, kcal/mol:

-33.71

Dipole, Da:

3.53

IP(EA), eV:

 -9.1(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-[[(3R)-5-hydroxy-3-methyl-3H-pyrazol-4-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methyl-3H-pyrazol-5-ol

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@H]2[C@H]([C@H]3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations