Geometry & MOs

Info

ID:	31262
PubChem CID:	855393
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	79.68
Dipole, Da:	7.05
IP(EA), eV:	-9.12(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine

Drug info:

PubChemData

Smile

CCC[C@@H](C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)CC=C

DOS

IR

Vibrations