Geometry & MOs

Info

ID:	254614
PubChem CID:	103126535
Reduced:	F3O3N4C11H15 (1)
Stoich.:	A3B3C4D11E15 (1)
Weight, g/mol:	291.144373
ΔH_f, kcal/mol:	-239.94
Dipole, Da:	3.21
IP(EA), eV:	-9.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCOC(F)(F)F)C2CCCN2

DOS

IR

Vibrations