Geometry & MOs

Info

ID:	250390
PubChem CID:	103096231
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	2.45
IP(EA), eV:	-10.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CC2CCCO2)O

DOS

IR

Vibrations