Geometry & MOs

Info

ID:	233611
PubChem CID:	91146087
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	4.82
Dipole, Da:	1.86
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-1,4-diazabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCCCC(CC)C1=C(N=CC=C1)OC2=CC=C(C=C2)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations