Geometry & MOs

Info

ID:	136529
PubChem CID:	52057414
Reduced:	ClO2N5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	460.247928
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	3.15
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations