Geometry & MOs

Info

ID:

422245

PubChem CID:

135117487

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

333.14887

ΔHf, kcal/mol:

-193.3

Dipole, Da:

5.76

IP(EA), eV:

 -8.4(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-fluoro-3-methoxyphenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CC5CCCC5)C6=CC=CC=C6

DOS

IR

Vibrations