Geometry & MOs

Info

ID:	194868
PubChem CID:	78599710
Reduced:	O2N4F5H9C17 (1)
Stoich.:	A2B4C5D9E17 (1)
Weight, g/mol:	414.150347
ΔH_f, kcal/mol:	-176.32
Dipole, Da:	3.98
IP(EA), eV:	-9.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations