Geometry & MOs

Info

ID:	1886
PubChem CID:	5278
Reduced:	BrFN2O3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	390.00153
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	2.24
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

DOS

IR

Vibrations