Geometry & MOs

Info

ID:	146267
PubChem CID:	53662097
Reduced:	O3N8C13H22 (1)
Stoich.:	A3B8C13D22 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	3.7
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(pyridin-3-ylmethoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

Drug info:

PubChemData

Smile

CN(CCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations