Geometry & MOs

Info

ID:	221407
PubChem CID:	85272552
Reduced:	OH2N2F6C7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	248.05211
ΔH_f, kcal/mol:	-273.34
Dipole, Da:	5.11
IP(EA), eV:	-10.86(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethoxy)phenyl]tetrazolidin-5-one

Drug info:

PubChemData

Smile

C1=CC(=NC(=O)N=C1C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations