Geometry & MOs

Info

ID:	370859
PubChem CID:	127341144
Reduced:	ClON5C19H30 (1)
Stoich.:	ABC5D19E30 (1)
Weight, g/mol:	363.146203
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	3.15
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-chloropyridin-2-yl)piperazin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations