Geometry & MOs

Info

ID:	371100
PubChem CID:	127342502
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	4.86
IP(EA), eV:	-8.89(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-6-oxopiperidin-3-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)NC(=O)N2CCCSCC2

DOS

IR

Vibrations