Geometry & MOs

Info

ID:	183691
PubChem CID:	77058612
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	683.978965
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	7.66
IP(EA), eV:	-10.12(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrafluoro-1,2,3-tris(2,3,4,5,6-pentafluorophenyl)-1-benzoborole

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=NC1=C)C(=O)NC2(CCOC2)C(=O)O

DOS

IR

Vibrations