Geometry & MOs

Info

ID:	173451
PubChem CID:	75640242
Reduced:	O2F4N5H13C18 (1)
Stoich.:	A2B4C5D13E18 (1)
Weight, g/mol:	406.105288
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	9.37
IP(EA), eV:	-9.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(difluoromethoxy)phenyl]-5-[4-(difluoromethoxy)phenyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1C(N2C(=NN=N2)N=C1C3=CC=C(C=C3)OC(F)F)C4=CC=CC=C4OC(F)F

DOS

IR

Vibrations