Geometry & MOs

Info

ID:	363073
PubChem CID:	127310104
Reduced:	O3N6C19H32 (1)
Stoich.:	A3B6C19D32 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	3.21
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(1-propylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CNC(=O)NC3CCCCC3

DOS

IR

Vibrations