Geometry & MOs

Info

ID:	184980
PubChem CID:	77236604
Reduced:	N2O3C32H44 (1)
Stoich.:	A2B3C32D44 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-128.13
Dipole, Da:	1.85
IP(EA), eV:	-9.02(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CCN2C3CCC2CC(C3)C4=CC(=CC=C4)O)C(=O)C(CCC5=CC=CC=C5)O

DOS

IR

Vibrations