Geometry & MOs

Info

ID:	31340
PubChem CID:	855596
Reduced:	N6C19H28 (1)
Stoich.:	A6B19C28 (1)
Weight, g/mol:	340.237545
ΔH_f, kcal/mol:	88.79
Dipole, Da:	7.1
IP(EA), eV:	-8.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations