Geometry & MOs

Info

ID:	142378
PubChem CID:	53024541
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	6.71
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C1=C(C=C(C=N1)NS(=O)(=O)C2=CC3=C(CCCC3)C=C2)C(=O)O

DOS

IR

Vibrations