Geometry & MOs

Info

ID:

177150

PubChem CID:

76141757

Reduced:

O3N4C25H33 (1)

Stoich.:

A3B4C25D33 (1)

Weight, g/mol:

592.25848

ΔHf, kcal/mol:

-59.04

Dipole, Da:

3.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.870060

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2,6-diethyl-4-methylanilino)-2-oxoethyl]-4-(7-fluoro-1,3-benzodioxol-5-yl)-2-[4-(methoxymethoxy)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

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CC.CC.CN1C2=NC=[N+](C2C(=O)N(C1=O)COC(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations