Geometry & MOs

Info

ID:	353646
PubChem CID:	127285223
Reduced:	O2N5C21H37 (1)
Stoich.:	A2B5C21D37 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	4.4
IP(EA), eV:	-8.86(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)CC(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations