Geometry & MOs

Info

ID:	287510
PubChem CID:	104245595
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	313.128255
ΔH_f, kcal/mol:	42.13
Dipole, Da:	5.5
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=NOC(=N2)CC(C3CCCC3)N

DOS

IR

Vibrations