Geometry & MOs

Info

ID:

435643

PubChem CID:

135192046

Reduced:

FN2O6C33H39 (1)

Stoich.:

AB2C6D33E39 (1)

Weight, g/mol:

612.299951

ΔHf, kcal/mol:

-267.93

Dipole, Da:

1.73

IP(EA), eV:

 -8.49(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(CCC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C)OC)O

DOS

IR

Vibrations