Geometry & MOs

Info

ID:	183980
PubChem CID:	77098947
Reduced:	IOF2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	294.041625
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	3.79
IP(EA), eV:	-9.64(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-6,7-difluoro-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C3=CC(=C(C=C3C(=O)N=N2)F)F)I

DOS

IR

Vibrations