Geometry & MOs

Info

ID:	31476
PubChem CID:	855766
Reduced:	N6C19H36 (1)
Stoich.:	A6B19C36 (1)
Weight, g/mol:	334.284495
ΔH_f, kcal/mol:	23.21
Dipole, Da:	7.04
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-cyclopentylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations