Geometry & MOs

Info

ID:	404268
PubChem CID:	135065635
Reduced:	Cl2N2O5C16H16 (1)
Stoich.:	A2B2C5D16E16 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	3.81
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-hydroxypropyl)-2,3,7-trioxabicyclo[2.2.1]hept-5-en-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@H](C1=CC=NN1C2=C(C=CC(=C2)Cl)Cl)OC(=O)C)O

DOS

IR

Vibrations