Geometry & MOs

Info

ID:	194867
PubChem CID:	78599624
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	396.064566
ΔH_f, kcal/mol:	45.04
Dipole, Da:	4.35
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations