Geometry & MOs

Info

ID:	220567
PubChem CID:	85197842
Reduced:	FO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	331.196756
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-14-(hydroxymethyl)-2,2,6,6-tetramethyl-2-silatetracyclo[6.5.1.01,10.05,14]tetradec-4-ene-13-carbonitrile

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2OC)CC(=O)C4=CC(=C(C=C34)F)OC

DOS

IR

Vibrations