Geometry & MOs

Info

ID:	341106
PubChem CID:	127263541
Reduced:	NO2F3C5H7 (2)
Stoich.:	AB2C3D5E7 (2)
Weight, g/mol:	340.085776
ΔH_f, kcal/mol:	-467.2
Dipole, Da:	5.54
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-3-methyl-3,6-diazabicyclo[3.2.0]heptane;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2[C@@H]1CNC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations