Geometry & MOs

Info

ID:	358700
PubChem CID:	127296490
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	3.02
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propan-2-ylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CNC3CCCCC3C(C)(C)C)C#N

DOS

IR

Vibrations