Geometry & MOs

Info

ID:	220860
PubChem CID:	85240197
Reduced:	NSiO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	4.26
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-enyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)CC(C=[N+]([O-])O[Si](C)(C)C)C1=CC=CC=C1

DOS

IR

Vibrations