Geometry & MOs

Info

ID:	371437
PubChem CID:	127346353
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-163.32
Dipole, Da:	5.79
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NC2=CC(=CC(=C2)F)N3CCOCC3

DOS

IR

Vibrations