Geometry & MOs

Info

ID:	169243
PubChem CID:	75079584
Reduced:	BrNCl4O4H10C19 (1)
Stoich.:	ABC4D4E10F19 (1)
Weight, g/mol:	296.217157
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	2.88
IP(EA), eV:	-9.76(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-6,6,7,7-tetramethylbicyclo[3.2.0]heptan-2-one

Drug info:

PubChemData

Smile

COC(=O)C(=C)C(C1=CC=CC=C1Br)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations