Geometry & MOs

Info

ID:	78683
PubChem CID:	49703738
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	458.13211
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	3.97
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations