Geometry & MOs

Info

ID:	379701
PubChem CID:	134459716
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	579.242809
ΔH_f, kcal/mol:	-67.45
Dipole, Da:	1.0
IP(EA), eV:	-9.84(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(6-oxabicyclo[3.1.1]heptan-2-ylmethoxy)-4-oxobutyl]-5-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-4-oxobutyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CC2C(CC3C2O3)CO1

DOS

IR

Vibrations