Geometry & MOs

Info

ID:

435668

PubChem CID:

135192117

Reduced:

FN2O4C30H35 (1)

Stoich.:

AB2C4D30E35 (1)

Weight, g/mol:

563.27955

ΔHf, kcal/mol:

-163.53

Dipole, Da:

5.39

IP(EA), eV:

 -8.07(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[2-(3-aminoprop-1-en-2-yloxy)propoxy]-2-methoxyphenyl]-8-[(5-fluoro-2-methylphenoxy)methyl]-1,3,3-trimethyl-4H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OCC(C)C)OC

DOS

IR

Vibrations