Geometry & MOs

Info

ID:	26462
PubChem CID:	649079
Reduced:	FO2N6C25H31 (1)
Stoich.:	AB2C6D25E31 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	6.11
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations