Geometry & MOs

Info

ID:	179428
PubChem CID:	76482190
Reduced:	FON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	508.376799
ΔH_f, kcal/mol:	17.62
Dipole, Da:	3.15
IP(EA), eV:	-9.71(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC3=NC=CC(=O)C3C=C2F

DOS

IR

Vibrations