Geometry & MOs

Info

ID:	68060
PubChem CID:	46507682
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	404.167083
ΔH_f, kcal/mol:	29.06
Dipole, Da:	2.28
IP(EA), eV:	-8.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations