Geometry & MOs

Info

ID:	25973
PubChem CID:	635067
Reduced:	N2O2Br3H7C12 (1)
Stoich.:	A2B2C3D7E12 (1)
Weight, g/mol:	454.257078
ΔH_f, kcal/mol:	45.35
Dipole, Da:	7.45
IP(EA), eV:	-9.3(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[3,8-bis(trimethylsilyloxy)oct-1-enyl]-5-oxocyclopenten-1-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations