Geometry & MOs

Info

ID:	357959
PubChem CID:	127295459
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	6.36
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine

Drug info:

PubChemData

Smile

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2CCCOC2

DOS

IR

Vibrations