Geometry & MOs

Info

ID:	250383
PubChem CID:	103096194
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	4.44
IP(EA), eV:	-10.07(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(C=C2)[N+](=O)[O-])OC)O

DOS

IR

Vibrations