Geometry & MOs

Info

ID:	173453
PubChem CID:	75640244
Reduced:	ClOF2N4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	316.168797
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	5.07
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethylphenyl)-7-(4-methylphenyl)-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=C4)Cl

DOS

IR

Vibrations