Geometry & MOs

Info

ID:	362059
PubChem CID:	127305596
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	1.93
IP(EA), eV:	-9.09(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)CCC(=O)N3CCOCC3

DOS

IR

Vibrations