Geometry & MOs

Info

ID:

435193

PubChem CID:

135183871

Reduced:

N2O4C29H36 (1)

Stoich.:

A2B4C29D36 (1)

Weight, g/mol:

608.253394

ΔHf, kcal/mol:

-130.18

Dipole, Da:

6.02

IP(EA), eV:

 -8.63(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]propan-2-yloxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=C2C3=CC=CC=C3)CCCO)CC4(CCCCC4)COCC(=O)O

DOS

IR

Vibrations