Geometry & MOs

Info

ID:	130419
PubChem CID:	51075889
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	4.11
IP(EA), eV:	-8.65(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azocan-1-ylmethyl)-3-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C(C)N2CCN(CC2)CCO

DOS

IR

Vibrations