Geometry & MOs

Info

ID:	21688
PubChem CID:	589533
Reduced:	ClN2O2F3H8C12 (1)
Stoich.:	AB2C2D3E8F12 (1)
Weight, g/mol:	304.02264
ΔH_f, kcal/mol:	-171.06
Dipole, Da:	3.55
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-methoxy-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations