Geometry & MOs

Info

ID:	391771
PubChem CID:	135009372
Reduced:	H2C3 (8)
Stoich.:	A2B3 (8)
Weight, g/mol:	324.105647
ΔH_f, kcal/mol:	181.1
Dipole, Da:	1.22
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,10S,11R,12R)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol

Drug info:

PubChemData

Smile

C1=CC/2=CC(=C1)/C=C\C3=CC(=CC=C3)C#CC4=CC=CC(=C4)/C=C2

DOS

IR

Vibrations