Geometry & MOs

Info

ID:	31335
PubChem CID:	855589
Reduced:	FSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	346.228123
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	3.51
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-(2-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations