Geometry & MOs

Info

ID:	126012
PubChem CID:	50948415
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	283.113233
ΔH_f, kcal/mol:	28.84
Dipole, Da:	5.67
IP(EA), eV:	-9.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-3-(1-ethoxypropyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC(=NN2C1)C(=O)O)CC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations