Geometry & MOs

Info

ID:	251844
PubChem CID:	103107319
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	339.02185
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	2.52
IP(EA), eV:	-10.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-bromofuran-2-yl)methyl]-5-cyclopropyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NOC(=C2)C)C3CC3

DOS

IR

Vibrations