Geometry & MOs

Info

ID:	351198
PubChem CID:	127279756
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	6.25
IP(EA), eV:	-9.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CCCN3C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations