Geometry & MOs

Info

ID:	57574
PubChem CID:	22425501
Reduced:	ClF3N3O3H13C18 (1)
Stoich.:	AB3C3D3E13F18 (1)
Weight, g/mol:	396.117546
ΔH_f, kcal/mol:	-210.54
Dipole, Da:	5.86
IP(EA), eV:	-9.31(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorophenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanylpyridazine

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=N)C(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)CO

DOS

IR

Vibrations