Geometry & MOs

Info

ID:	392078
PubChem CID:	135012656
Reduced:	SiO7C22H44 (1)
Stoich.:	AB7C22D44 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-417.8
Dipole, Da:	3.37
IP(EA), eV:	-9.35(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1,3-dimethoxyprop-2-enyl]benzene

Drug info:

PubChemData

Smile

CCC(C)O[C@@H]([C@H](C)[C@H]([C@@H]1COC(O1)(C)C)O[Si](CC)(CC)CC)[C@H](C(=O)OC)O

DOS

IR

Vibrations