Geometry & MOs

Info

ID:	31472
PubChem CID:	855762
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	334.284495
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	5.46
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=NN=C2SCC(=O)N)C3=CC=CO3

DOS

IR

Vibrations