Geometry & MOs

Info

ID:	163161
PubChem CID:	57646648
Reduced:	ClNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	298.064137
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	8.15
IP(EA), eV:	-9.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-fluorophenyl)methyl]-4-oxochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)O)O)C(=O)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations