Geometry & MOs

Info

ID:	170863
PubChem CID:	75287409
Reduced:	BrSiO2N3C33H40 (1)
Stoich.:	ABC2D3E33F40 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	6.45
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(C1=CC=CC=C1)N2CCC34C(C2=O)C5=CC=CC=C5NC3N(C6=C4C(=CC=C6)Br)C

DOS

IR

Vibrations