Geometry & MOs

Info

ID:	261472
PubChem CID:	103235335
Reduced:	NF3O3C6H10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-302.27
Dipole, Da:	2.64
IP(EA), eV:	-10.11(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(C(CNCC(F)(F)F)O)C(=O)O

DOS

IR

Vibrations