Geometry & MOs

Info

ID:	407233
PubChem CID:	135079625
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	590.320355
ΔH_f, kcal/mol:	48.55
Dipole, Da:	2.86
IP(EA), eV:	-9.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R)-1-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]oct-1-en-3-ol

Drug info:

PubChemData

Smile

C=CCOCC#CCOCC#CC1=CC=CC=C1

DOS

IR

Vibrations