Geometry & MOs

Info

ID:	440158
PubChem CID:	135230067
Reduced:	N3O3C22H37 (1)
Stoich.:	A3B3C22D37 (1)
Weight, g/mol:	373.309313
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	2.71
IP(EA), eV:	-8.81(1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1-azabicyclo[3.3.1]nonan-5-yl]methyl]-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC1CNC(C2(O1)CC2)C3CC34C(NCC(O4)C5CC6(C5)C(NCCO6)C)C

DOS

IR

Vibrations