Geometry & MOs

Info

ID:	28642
PubChem CID:	828731
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	282.078662
ΔH_f, kcal/mol:	32.62
Dipole, Da:	3.84
IP(EA), eV:	-8.43(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CO4

DOS

IR

Vibrations