Geometry & MOs

Info

ID:	407987
PubChem CID:	135080742
Reduced:	ON2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	278.110499
ΔH_f, kcal/mol:	6.96
Dipole, Da:	4.72
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] 2-chloroacetate

Drug info:

PubChemData

Smile

CC(CC(=O)N1C=CC=C1)C#N

DOS

IR

Vibrations