Geometry & MOs

Info

ID:	31475
PubChem CID:	855765
Reduced:	N6C19H36 (1)
Stoich.:	A6B19C36 (1)
Weight, g/mol:	348.300145
ΔH_f, kcal/mol:	22.87
Dipole, Da:	6.44
IP(EA), eV:	-8.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations