Geometry & MOs

Info

ID:	378045
PubChem CID:	134224114
Reduced:	ClN2F4O5C21H21 (1)
Stoich.:	AB2C4D5E21F21 (1)
Weight, g/mol:	474.116934
ΔH_f, kcal/mol:	-362.27
Dipole, Da:	11.49
IP(EA), eV:	-9.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(F)(F)F)N1CC2=CC(=C(C=C2C3=C(C(=O)C(=CN31)C(=O)O)F)Cl)OCCCOC

DOS

IR

Vibrations