Geometry & MOs

Info

ID:	177101
PubChem CID:	76135367
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	414.173726
ΔH_f, kcal/mol:	-121.73
Dipole, Da:	6.18
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(1-hydroxybutoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2CC(NN2)C(=O)OC

DOS

IR

Vibrations