Geometry & MOs

Info

ID:	31474
PubChem CID:	855764
Reduced:	N3C9H17 (2)
Stoich.:	A3B9C17 (2)
Weight, g/mol:	348.300145
ΔH_f, kcal/mol:	30.06
Dipole, Da:	7.04
IP(EA), eV:	-8.73(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations