Geometry & MOs

Info

ID:	355236
PubChem CID:	127288168
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	2.97
IP(EA), eV:	-9.4(-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]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)N2CCC(C2)C

DOS

IR

Vibrations