Geometry & MOs

Info

ID:	351222
PubChem CID:	127279780
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	2.39
IP(EA), eV:	-9.39(-0.37)
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]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C(C)OC3=CC=CC=C3Cl

DOS

IR

Vibrations