Geometry & MOs

Info

ID:	40704
PubChem CID:	8144554
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	308.110711
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	6.62
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-4-methyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=C(C=C(C=C1)OC)OC)/CC(=O)NCC=C

DOS

IR

Vibrations