Geometry & MOs

Info

ID:	224770
PubChem CID:	85349824
Reduced:	N3O3H5F6C8 (1)
Stoich.:	A3B3C5D6E8 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-364.75
Dipole, Da:	6.05
IP(EA), eV:	-10.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

C(C1C(=O)OC(N1)(C(F)(F)F)C(F)(F)F)C(=C[N+]#N)[O-]

DOS

IR

Vibrations