Geometry & MOs

Info

ID:	287511
PubChem CID:	104245603
Reduced:	OS2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	327.143905
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	3.62
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(SCCS1)C2=NOC(=N2)CC(C3CCCC3)N

DOS

IR

Vibrations