Geometry & MOs

Info

ID:	414095
PubChem CID:	135087049
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	236.138388
ΔH_f, kcal/mol:	12.88
Dipole, Da:	3.18
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diethyl-2-(4-fluorophenyl)-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

CCCC/C=C(\C#CC1=CC=CC=C1)/C(=O)C

DOS

IR

Vibrations