Geometry & MOs

Info

ID:	130917
PubChem CID:	51128519
Reduced:	N2O2F3H13C19 (1)
Stoich.:	A2B2C3D13E19 (1)
Weight, g/mol:	378.064983
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	6.01
IP(EA), eV:	-9.5(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(F)(F)F)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations