Geometry & MOs

Info

ID:	228068
PubChem CID:	87563314
Reduced:	OF3N3C6H6 (2)
Stoich.:	AB3C3D6E6 (2)
Weight, g/mol:	567.09739
ΔH_f, kcal/mol:	-293.1
Dipole, Da:	9.64
IP(EA), eV:	-9.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NN3C(=NN=C3C(F)(F)F)C=C2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations