Geometry & MOs

Info

ID:	362786
PubChem CID:	127309334
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	5.6
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-(1-phenylpyrazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)CNC(=O)N4C5CCC4CC(C5)O)OC1

DOS

IR

Vibrations