Geometry & MOs

Info

ID:	209640
PubChem CID:	80698328
Reduced:	FN2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	244.158706
ΔH_f, kcal/mol:	-146.44
Dipole, Da:	4.2
IP(EA), eV:	-9.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N(CCC(=O)N1)CCF

DOS

IR

Vibrations