Geometry & MOs

Info

ID:	183981
PubChem CID:	77098948
Reduced:	ON2F4H6C14 (1)
Stoich.:	AB2C4D6E14 (1)
Weight, g/mol:	266.123069
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	2.96
IP(EA), eV:	-9.89(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-difluoro-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations