Geometry & MOs

Info

ID:	20608
PubChem CID:	584823
Reduced:	ClFNO3C21H21 (1)
Stoich.:	ABCD3E21F21 (1)
Weight, g/mol:	389.119399
ΔH_f, kcal/mol:	-163.05
Dipole, Da:	7.5
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C2=CC(=C(C=C2C1=O)Cl)F)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations