Geometry & MOs

Info

ID:	170397
PubChem CID:	75227865
Reduced:	ClN2O6C23H29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	466.150679
ΔH_f, kcal/mol:	-228.3
Dipole, Da:	2.9
IP(EA), eV:	-9.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[[6-(oxan-4-yloxy)pyridazin-3-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=NN=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

DOS

IR

Vibrations