Geometry & MOs

Info

ID:	206221
PubChem CID:	80220691
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	4.89
IP(EA), eV:	-8.26(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-5-methoxyanilino)azepan-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)NC2=NCCCCC2

DOS

IR

Vibrations