Geometry & MOs

Info

ID:	12206
PubChem CID:	132306
Reduced:	FNO4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	397.168936
ΔH_f, kcal/mol:	-165.6
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F

DOS

IR

Vibrations