Geometry & MOs

Info

ID:	251829
PubChem CID:	103107216
Reduced:	F3N3O3C12H16 (1)
Stoich.:	A3B3C3D12E16 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-222.9
Dipole, Da:	3.18
IP(EA), eV:	-10.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCOCC(F)(F)F)C2CC2

DOS

IR

Vibrations