Geometry & MOs

Info

ID:	415639
PubChem CID:	135088638
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	23.94
Dipole, Da:	4.62
IP(EA), eV:	-8.22(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations