Geometry & MOs

Info

ID:	355230
PubChem CID:	127288162
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)N2CCCC2(C)C

DOS

IR

Vibrations