Geometry & MOs

Info

ID:	250393
PubChem CID:	103096266
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	3.84
IP(EA), eV:	-9.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CCC2=CC=CC(=C2)C)O

DOS

IR

Vibrations