Geometry & MOs

Info

ID:	31257
PubChem CID:	855369
Reduced:	N3C9H14 (2)
Stoich.:	A3B9C14 (2)
Weight, g/mol:	328.237545
ΔH_f, kcal/mol:	83.36
Dipole, Da:	6.63
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NN=NN1CCC2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations