Geometry & MOs

Info

ID:	287265
PubChem CID:	104234199
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	266.143056
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	4.27
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-aminoethyl)-2-fluorophenoxy]azepan-2-one

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations