Geometry & MOs

Info

ID:	403852
PubChem CID:	135062203
Reduced:	ON2C29H32 (1)
Stoich.:	AB2C29D32 (1)
Weight, g/mol:	337.224451
ΔH_f, kcal/mol:	42.65
Dipole, Da:	3.83
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-[dimethyl(propan-2-yloxy)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile

Drug info:

PubChemData

Smile

CCCCC1=CN(N([C@@H]1CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations