Geometry & MOs

Info

ID:	403640
PubChem CID:	135061088
Reduced:	BO4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	448.300886
ΔH_f, kcal/mol:	-256.89
Dipole, Da:	5.49
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-methyl-6-[8-oxo-3-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.1]octanylidene]hex-2-enyl] acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(\C)/C2=CC=C(C=C2)C(=O)OC)/C3CCCCC3

DOS

IR

Vibrations