Geometry & MOs

Info

ID:	68061
PubChem CID:	46507683
Reduced:	OSN4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	436.173311
ΔH_f, kcal/mol:	47.08
Dipole, Da:	4.93
IP(EA), eV:	-8.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations