Geometry & MOs

Info

ID:	310204
PubChem CID:	126576610
Reduced:	ON2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	281.019922
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	1.17
IP(EA), eV:	-8.29(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)OC(C)C

DOS

IR

Vibrations