Geometry & MOs

Info

ID:	254267
PubChem CID:	103123814
Reduced:	O2F3N4C11H15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-186.59
Dipole, Da:	3.56
IP(EA), eV:	-9.29(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(oxolan-3-ylmethyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC(F)(F)F)C2CCNCC2

DOS

IR

Vibrations