Geometry & MOs

Info

ID:	50257
PubChem CID:	12012773
Reduced:	H2F3C5N5 (1)
Stoich.:	A2B3C5D5 (1)
Weight, g/mol:	189.02623
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	5.94
IP(EA), eV:	-11.21(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=NN=N2)N=C1C(F)(F)F

DOS

IR

Vibrations