Geometry & MOs

Info

ID:	393419
PubChem CID:	135020494
Reduced:	BrO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	344.113648
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	5.27
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-phenyl-3-(trifluoromethyl)-4H-pyridazin-4-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2Br

DOS

IR

Vibrations