Geometry & MOs

Info

ID:	288815
PubChem CID:	104326330
Reduced:	FO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	279.084161
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	4.49
IP(EA), eV:	-7.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-4-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(C)C/C(=N/O)/N)F

DOS

IR

Vibrations