Geometry & MOs

Info

ID:	403610
PubChem CID:	135060947
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	402.239766
ΔH_f, kcal/mol:	52.44
Dipole, Da:	1.95
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[[dimethyl(phenyl)silyl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl] acetate

Drug info:

PubChemData

Smile

CCCC/C=C/C=C\N1C=CC=N1

DOS

IR

Vibrations