Geometry & MOs

Info

ID:	43980
PubChem CID:	10322689
Reduced:	O3C31H54 (1)
Stoich.:	A3B31C54 (1)
Weight, g/mol:	473.88638
ΔH_f, kcal/mol:	-219.57
Dipole, Da:	3.46
IP(EA), eV:	-8.68(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (8S,9R)-5-bromo-8,9-bis(bromomethyl)-4-oxobicyclo[5.1.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OCCCCC

DOS

IR

Vibrations