Geometry & MOs

Info

ID:	167809
PubChem CID:	74880947
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	266.988959
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	5.13
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,5,6-pentafluorophenyl)-3,4-dihydro-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCCN(CCC)C1=C(N2C=CC=CC2=N1)C=CC(=O)O

DOS

IR

Vibrations