Geometry & MOs

Info

ID:	225960
PubChem CID:	87246489
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	3.61
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)(CN2CCCCC2)C#C.C1=CC=C2C(=C1)C=CO2

DOS

IR

Vibrations