Geometry & MOs

Info

ID:	199115
PubChem CID:	79200692
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	1.53
IP(EA), eV:	-9.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CCCO)[N+](=O)[O-]

DOS

IR

Vibrations