Geometry & MOs

Info

ID:	355237
PubChem CID:	127288169
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	4.51
IP(EA), eV:	-9.36(-0.13)
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-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)N2CCCCCC2

DOS

IR

Vibrations