Geometry & MOs

Info

ID:	449219
PubChem CID:	135296929
Reduced:	BrN2O3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	444.226037
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	4.71
IP(EA), eV:	-8.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(methoxymethyl)-9-(3-methoxypropoxy)-6-(2-methylbutan-2-yl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(N1N)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OCCCOC)C

DOS

IR

Vibrations