Geometry & MOs

Info

ID:	25279
PubChem CID:	622151
Reduced:	ClNO4H8C12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	3.65
IP(EA), eV:	-9.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazole-3-thiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC(=C(C=C2)Cl)O

DOS

IR

Vibrations