Geometry & MOs

Info

ID:	430065
PubChem CID:	135170122
Reduced:	N2O2C11H18 (2)
Stoich.:	A2B2C11D18 (2)
Weight, g/mol:	409.294057
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	0.79
IP(EA), eV:	-8.94(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(2S)-1-(2-hydroxy-2-methoxyethyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(=CC3)[C@@H]4CCCN4C(=O)N(C)OC

DOS

IR

Vibrations