Geometry & MOs

Info

ID:	240736
PubChem CID:	93617232
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	5.57
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CN2CCC[C@@H]2C3=CSC=C3

DOS

IR

Vibrations