Geometry & MOs

Info

ID:	251587
PubChem CID:	103105121
Reduced:	F3N3O3C10H14 (1)
Stoich.:	A3B3C3D10E14 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-246.44
Dipole, Da:	4.62
IP(EA), eV:	-10.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCOCC(F)(F)F)C

DOS

IR

Vibrations