Geometry & MOs

Info

ID:	257551
PubChem CID:	103146977
Reduced:	N2O2F3C10H13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	310.139194
ΔH_f, kcal/mol:	-218.29
Dipole, Da:	4.09
IP(EA), eV:	-9.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations