Geometry & MOs

Info

ID:	16850
PubChem CID:	477644
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	21.65
Dipole, Da:	3.84
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(methylamino)-5-(4-methylphenyl)-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)N(C(=N1)C2=CC=C(C=C2)C)NC

DOS

IR

Vibrations