Geometry & MOs

Info

ID:	257548
PubChem CID:	103146961
Reduced:	NF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	252.133714
ΔH_f, kcal/mol:	-257.37
Dipole, Da:	6.35
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCCOC1=CN=CC(=C1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations