Geometry & MOs

Info

ID:	50256
PubChem CID:	12012772
Reduced:	O2F3H3N4C7 (1)
Stoich.:	A2B3C3D4E7 (1)
Weight, g/mol:	189.02623
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	5.37
IP(EA), eV:	-11.29(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1=CN2C(=NC(=N2)C(=O)O)N=C1C(F)(F)F

DOS

IR

Vibrations