Geometry & MOs

Info

ID:	310205
PubChem CID:	126576728
Reduced:	H3N3C7F8 (1)
Stoich.:	A3B3C7D8 (1)
Weight, g/mol:	173.076454
ΔH_f, kcal/mol:	-342.1
Dipole, Da:	5.48
IP(EA), eV:	-11.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-difluoro-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine

Drug info:

PubChemData

Smile

C1C(C(C(C2=NN=CN2C1(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations