Geometry & MOs

Info

ID:	60009
PubChem CID:	26664367
Reduced:	BrO2N5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	460.086909
ΔH_f, kcal/mol:	79.34
Dipole, Da:	3.83
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations