Geometry & MOs

Info

ID:	343788
PubChem CID:	127266964
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	264.138639
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	7.02
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-fluoro-3-methylphenyl)methylamino]ethyl]-4-methyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1C(N(C(C(=O)N1)C)CC2=CC(=CC=C2)C#N)C

DOS

IR

Vibrations