Geometry & MOs

Info

ID:	145559
PubChem CID:	53545069
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	8.01
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-3-N-propan-2-yl-1-N-pyridin-4-ylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)N=C2N1C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations