Geometry & MOs

Info

ID:	209639
PubChem CID:	80698327
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	230.143056
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	2.34
IP(EA), eV:	-9.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(2-fluoroethyl)-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(CC(=O)N1)CCF)C2=CC=CC=C2

DOS

IR

Vibrations