Geometry & MOs

Info

ID:	374189
PubChem CID:	131325274
Reduced:	BN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	139.038176
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	3.55
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethyl)-1,2,4-oxadiazole-3-carbonitrile

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N3CCCC3=O)C

DOS

IR

Vibrations