Geometry & MOs

Info

ID:	395147
PubChem CID:	135024751
Reduced:	BrN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	464.238286
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	1.47
IP(EA), eV:	-8.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-oxobicyclo[2.2.2]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC2=C([C@H](N1CCBr)C3=CC=CC=C3)NC4=CC=CC=C24

DOS

IR

Vibrations