Geometry & MOs

Info

ID:	222226
PubChem CID:	85295379
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	242.14781
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	2.49
IP(EA), eV:	-9.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(3-phenylbuta-1,3-dienyl)-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

CCCCCCC(CC=CC=C)OC(=O)NO

DOS

IR

Vibrations