Geometry & MOs

Info

ID:	24436
PubChem CID:	610280
Reduced:	N2O2C5H5 (2)
Stoich.:	A2B2C5D5 (2)
Weight, g/mol:	250.070205
ΔH_f, kcal/mol:	-4.52
Dipole, Da:	7.38
IP(EA), eV:	-10.01(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-ethyl-3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C(=O)C)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations