Geometry & MOs

Info

ID:	31385
PubChem CID:	855646
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	50.21
Dipole, Da:	5.67
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C(=NN=N2)CN3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations