Geometry & MOs

Info

ID:	424042
PubChem CID:	135121112
Reduced:	ClF3O3N8H14C19 (1)
Stoich.:	AB3C3D8E14F19 (1)
Weight, g/mol:	448.02985
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	1.69
IP(EA), eV:	-9.96(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]-3-oxo-4H-pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(NNC(=O)C1N2C=CN=N2)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations