Geometry & MOs

Info

ID:	142719
PubChem CID:	53081479
Reduced:	ClO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	2.76
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations