Geometry & MOs

Info

ID:	326043
PubChem CID:	126686184
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	7.7
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[13-(2,7-diazaspiro[4.4]nonan-2-yl)-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(C=C21)OCCC4=C3NC(=O)C(=C4O)OC(=O)O)CN5CCC5

DOS

IR

Vibrations