Geometry & MOs

Info

ID:	435667
PubChem CID:	135192107
Reduced:	FN2O3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	506.258086
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	1.35
IP(EA), eV:	-7.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=C(C(=C(C=C2)NC(C)(C)C=O)N(C)C)COC3=C(C=CC(=C3)F)C

DOS

IR

Vibrations