Geometry & MOs

Info

ID:	435650
PubChem CID:	135192060
Reduced:	FN2O6C33H39 (1)
Stoich.:	AB2C6D33E39 (1)
Weight, g/mol:	492.242436
ΔH_f, kcal/mol:	-252.41
Dipole, Da:	5.86
IP(EA), eV:	-8.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(5-fluoro-2-methylphenoxy)methyl]-7-(2-methoxy-4-propoxyphenyl)-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)CC(=O)C(C)O)OC

DOS

IR

Vibrations