Geometry & MOs

Info

ID:	424014
PubChem CID:	135121039
Reduced:	O3N5F6H9C18 (1)
Stoich.:	A3B5C6D9E18 (1)
Weight, g/mol:	466.026737
ΔH_f, kcal/mol:	-264.09
Dipole, Da:	4.61
IP(EA), eV:	-10.21(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-5-(trifluoromethyl)phenoxy]-3-[(6-oxo-3H-pyridazin-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=O)N=NC1CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C(F)(F)F)C#N)C(F)(F)F

DOS

IR

Vibrations