Geometry & MOs

Info

ID:	341124
PubChem CID:	127263559
Reduced:	BrClNOF2H9C12 (1)
Stoich.:	ABCDE2F9G12 (1)
Weight, g/mol:	340.085776
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	2.52
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3,6-diazabicyclo[3.2.0]heptane;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Br)OC2=C(C=C(C=C2)F)F.Cl

DOS

IR

Vibrations