Geometry & MOs

Info

ID:	341104
PubChem CID:	127263539
Reduced:	N2O4F6C9H14 (1)
Stoich.:	A2B4C6D9E14 (1)
Weight, g/mol:	340.085776
ΔH_f, kcal/mol:	-498.23
Dipole, Da:	9.62
IP(EA), eV:	-9.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC1CN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations