Geometry & MOs

Info

ID:	392737
PubChem CID:	135017815
Reduced:	NO11C19H29 (1)
Stoich.:	AB11C19D29 (1)
Weight, g/mol:	329.167262
ΔH_f, kcal/mol:	-523.93
Dipole, Da:	4.45
IP(EA), eV:	-10.51(0.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

tert-butyl 2-(2,8-dioxa-5-aza-1-boranuidabicyclo[3.3.0]octan-1-yl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations