Geometry & MOs

Info

ID:	31415
PubChem CID:	855690
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	334.284495
ΔH_f, kcal/mol:	19.68
Dipole, Da:	4.85
IP(EA), eV:	-8.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-[(1R)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazine

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=NN=N2)CN3CCN(CC3)CC4=CC=CO4

DOS

IR

Vibrations