Geometry & MOs

Info

ID:	262267
PubChem CID:	103280988
Reduced:	O2F3N3H6C7 (1)
Stoich.:	A2B3C3D6E7 (1)
Weight, g/mol:	300.099809
ΔH_f, kcal/mol:	-199.06
Dipole, Da:	3.46
IP(EA), eV:	-10.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-6-methyl-2-(trifluoromethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1=C(C=NC=N1)NC(=O)OCC(F)(F)F

DOS

IR

Vibrations