Geometry & MOs

Info

ID:	175918
PubChem CID:	75968299
Reduced:	ClO2N6H11C20 (1)
Stoich.:	AB2C6D11E20 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	210.28
Dipole, Da:	4.24
IP(EA), eV:	-10.1(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3C(=C4C=CC=N4)N=NC3=NC5=C2C=C(C=C5)[N+](=O)[O-])Cl

DOS

IR

Vibrations