Geometry & MOs

Info

ID:	387023
PubChem CID:	134983704
Reduced:	SiO3C20H38 (1)
Stoich.:	AB3C20D38 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	-235.59
Dipole, Da:	1.67
IP(EA), eV:	-8.69(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2E)-1-phenyl-2-prop-2-enylideneoctan-1-ol

Drug info:

PubChemData

Smile

CCCCC1=C[C@H](CC[C@@]1(C)CC(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations