Geometry & MOs

Info

ID:	320129
PubChem CID:	126658421
Reduced:	F3O3N6C17H17 (1)
Stoich.:	A3B3C6D17E17 (1)
Weight, g/mol:	423.130695
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	4.66
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methanimidoyl-4-[2-(6-methylpyridin-3-yl)-5-(trifluoromethyl)phenoxy]phthalazin-1-imine

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1NN)OC2=C(C=CC(=C2)C(F)(F)F)C3=C(NC(=O)NC3)OC

DOS

IR

Vibrations