Geometry & MOs

Info

ID:	262720
PubChem CID:	103311316
Reduced:	NF3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	264.058499
ΔH_f, kcal/mol:	-321.66
Dipole, Da:	4.24
IP(EA), eV:	-9.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

CC1CC2=C(CC1C)N=C(N2)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations