Geometry & MOs

Info

ID:	165732
PubChem CID:	74588141
Reduced:	O2N7C15H28 (1)
Stoich.:	A2B7C15D28 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757952
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[benzyl(methyl)amino]pyridin-3-yl]methyl]-6-methyl-4-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCCC1CN(C)C(=O)CN2C(=NN=N2)CN3CCOCC3

DOS

IR

Vibrations