Geometry & MOs

Info

ID:	142643
PubChem CID:	53070951
Reduced:	FSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	466.177168
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	5.3
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)CC(=O)NCCC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations