Geometry & MOs

Info

ID:	287500
PubChem CID:	104245543
Reduced:	OF3N3C14H22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-174.55
Dipole, Da:	5.42
IP(EA), eV:	-9.19(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CC1=NC(=NO1)CCC(F)(F)F)C2CCCC2

DOS

IR

Vibrations