Geometry & MOs

Info

ID:	378044
PubChem CID:	134224113
Reduced:	NF2O3C11H12 (2)
Stoich.:	AB2C3D11E12 (2)
Weight, g/mol:	492.107512
ΔH_f, kcal/mol:	-391.16
Dipole, Da:	15.73
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-1-fluoro-9-(3-methoxypropoxy)-2-oxo-6-(1,1,1-trifluoro-2-methylpropan-2-yl)-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)OC)OCCCOC

DOS

IR

Vibrations