Geometry & MOs

Info

ID:	310166
PubChem CID:	126575988
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	365.94476
ΔH_f, kcal/mol:	-105.67
Dipole, Da:	3.51
IP(EA), eV:	-8.52(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(fluoromethylsulfanyl)-2-iodophenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CCC(CC)N1CC2CCC(C1)N2C(=O)OC

DOS

IR

Vibrations