Geometry & MOs

Info

ID:	325984
PubChem CID:	126685899
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	425.200237
ΔH_f, kcal/mol:	28.06
Dipole, Da:	4.24
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluoro-3-methylphenyl)methyl]-3-(1-hydroxyethenyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxyquinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C(=O)O)CC#N

DOS

IR

Vibrations