Geometry & MOs

Info

ID:	322493
PubChem CID:	126670266
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-134.16
Dipole, Da:	4.07
IP(EA), eV:	-9.57(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylbutan-2-yl)-2-phenyl-1H-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CN1C/C(=C(\C2=NC(=CO2)CC3=CC=C(C=C3)F)/O)/C(=O)C1O

DOS

IR

Vibrations