Geometry & MOs

Info

ID:	31699
PubChem CID:	857801
Reduced:	FON6C15H19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	0.38
Dipole, Da:	6.73
IP(EA), eV:	-9.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=NN=NN2CC3=CC=C(C=C3)F

DOS

IR

Vibrations