Geometry & MOs

Info

ID:

435673

PubChem CID:

135192126

Reduced:

N5C37H39 (1)

Stoich.:

A5B37C39 (1)

Weight, g/mol:

554.198202

ΔHf, kcal/mol:

180.1

Dipole, Da:

6.76

IP(EA), eV:

 -7.72(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(5-fluoro-2-methylphenoxy)methyl]-7-[2-methoxy-4-(2-phosphorosooxypropoxy)phenyl]-1,3,3-trimethyl-4H-quinoxalin-2-one

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=C(C=C1)N/C(=C\C)/C2=CC3=C(CN(CC3)C(=C)C#CC)N(C2=C)C4=CC=CC=C4)\C5=C(NCN=C5)C

DOS

IR

Vibrations