Geometry & MOs

Info

ID:	126339
PubChem CID:	50960223
Reduced:	ClN3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	332.118573
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	7.21
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-2-pyridin-3-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3)Cl

DOS

IR

Vibrations