Geometry & MOs

Info

ID:	327453
PubChem CID:	126689952
Reduced:	F2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-201.77
Dipole, Da:	4.01
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]acetate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]([C@H]1/C=C/C(COC3=CC=CC=C3)(F)F)CC(=O)O2

DOS

IR

Vibrations