Geometry & MOs

Info

ID:	354107
PubChem CID:	127286038
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-77.19
Dipole, Da:	0.94
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NOC(=N2)C3CCOCC3)CO

DOS

IR

Vibrations