Geometry & MOs

Info

ID:	362028
PubChem CID:	127305557
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	5.7
IP(EA), eV:	-8.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations