Geometry & MOs

Info

ID:	173018
PubChem CID:	75585624
Reduced:	N2O2C19H27 (1)
Stoich.:	A2B2C19D27 (1)
Weight, g/mol:	423.10452
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	5.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752823
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-(3-bromophenoxy)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)[NH+]3C4CC4

DOS

IR

Vibrations