Geometry & MOs

Info

ID:	68059
PubChem CID:	46507681
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	33.41
Dipole, Da:	3.65
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

DOS

IR

Vibrations