Geometry & MOs

Info

ID:	355232
PubChem CID:	127288164
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-78.79
Dipole, Da:	3.77
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)N2CCOC3C2CCC3

DOS

IR

Vibrations