Geometry & MOs

Info

ID:	326677
PubChem CID:	126687987
Reduced:	F3O3N4H25C29 (1)
Stoich.:	A3B3C4D25E29 (1)
Weight, g/mol:	269.9654
ΔH_f, kcal/mol:	-146.06
Dipole, Da:	3.11
IP(EA), eV:	-8.91(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-7-methylphthalazine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations