Geometry & MOs

Info

ID:	251560
PubChem CID:	103104880
Reduced:	BrFO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	3.06
IP(EA), eV:	-10.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=C(C=C2)F)Br)C

DOS

IR

Vibrations