Geometry & MOs

Info

ID:	271072
PubChem CID:	103642749
Reduced:	FN4O4H9C11 (1)
Stoich.:	AB4C4D9E11 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	5.65
IP(EA), eV:	-10.84(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations