Geometry & MOs

Info

ID:	26778
PubChem CID:	798302
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	24.01
Dipole, Da:	3.69
IP(EA), eV:	-9.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)C3=CC=C(C=C3)O

DOS

IR

Vibrations