Geometry & MOs

Info

ID:	173452
PubChem CID:	75640243
Reduced:	O2F4N4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	374.074595
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	7.02
IP(EA), eV:	-9.45(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations