Geometry & MOs

Info

ID:	435689
PubChem CID:	135192162
Reduced:	FN2O6C34H45 (1)
Stoich.:	AB2C6D34E45 (1)
Weight, g/mol:	506.258086
ΔH_f, kcal/mol:	-265.56
Dipole, Da:	6.05
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/1\C(=C(\COC2=C(C=CC(=C2)F)C)/C(C)C3=C(C=C(C=C3)OCCOC4CCCCO4)OC)\N(C(=O)C(N1)(C)C)C

DOS

IR

Vibrations