Geometry & MOs

Info

ID:	52655
PubChem CID:	12015635
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	377.91162
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	3.8
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,13S)-4-bromo-13-iodo-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@@H]([C@]1(C)C=O)N(CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations