Geometry & MOs

Info

ID:	31264
PubChem CID:	855399
Reduced:	N6C15H28 (1)
Stoich.:	A6B15C28 (1)
Weight, g/mol:	306.253195
ΔH_f, kcal/mol:	43.99
Dipole, Da:	6.84
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=NN1C2CCCCC2)N3CCN(CC3)C

DOS

IR

Vibrations