Geometry & MOs

Info

ID:	59760
PubChem CID:	24896102
Reduced:	N2O4F9C32H35 (1)
Stoich.:	A2B4C9D32E35 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-643.7
Dipole, Da:	4.81
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-[2-[benzyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC1CCC(CC1)CC(=O)O)CC2=C(C=C(C=C2)C(F)(F)F)CN3[C@H]([C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations