Geometry & MOs

Info

ID:	184981
PubChem CID:	77236605
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	533.310101
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	6.2
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-[2-[cyclohexylmethyl(2,3-dihydroxypropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide;2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CCN(CC3=CC=CC=C3)C(=O)C(CO)O)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations