Geometry & MOs

Info

ID:	360967
PubChem CID:	127301798
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-177.1
Dipole, Da:	3.35
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepane-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1CC(=O)NC1=O)N2CCOCC2

DOS

IR

Vibrations