Geometry & MOs

Info

ID:	378043
PubChem CID:	134224112
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	488.157049
ΔH_f, kcal/mol:	-204.84
Dipole, Da:	15.72
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-10-methoxy-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

CC1=CC2=C(CC(N3C2=C(C(=O)C(=C3)C(=O)O)C)C(C)(C)C)C=C1OCCCOC

DOS

IR

Vibrations