Geometry & MOs

Info

ID:	126440
PubChem CID:	50965039
Reduced:	OF3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	3.19
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-oxopyrrolidin-3-yl)-4-(2-phenoxyphenyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)C2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations