Geometry & MOs

Info

ID:	260249
PubChem CID:	103186523
Reduced:	FNO2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	281.085207
ΔH_f, kcal/mol:	-56.64
Dipole, Da:	2.12
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-5-quinolin-2-ylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2=C3C=CC=NC3=CC=C2)F

DOS

IR

Vibrations