Geometry & MOs

Info

ID:	127929
PubChem CID:	51023215
Reduced:	BrNSiO4C24H28 (1)
Stoich.:	ABCD4E24F28 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	3.02
IP(EA), eV:	-9.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S)-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]2[C@H](N([C@H]1[C@H]2Br)C(=O)OCC3=CC=CC=C3)C[Si](C)(C)C4=CC=CC=C4

DOS

IR

Vibrations