Geometry & MOs

Info

ID:	121454
PubChem CID:	50768623
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	13.04
Dipole, Da:	7.01
IP(EA), eV:	-8.2(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropyl)-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)SC4=CC=CC=C4

DOS

IR

Vibrations