Geometry & MOs

Info

ID:	31473
PubChem CID:	855763
Reduced:	N3C9H17 (2)
Stoich.:	A3B9C17 (2)
Weight, g/mol:	334.284495
ΔH_f, kcal/mol:	28.77
Dipole, Da:	6.77
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3CCCC3

DOS

IR

Vibrations