Geometry & MOs

Info

ID:	342204
PubChem CID:	127264981
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	351.095395
ΔH_f, kcal/mol:	95.2
Dipole, Da:	4.37
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-4-[[(Z)-(2-methylindol-3-ylidene)methyl]amino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC\1=NC2=CC=CC=C2/C1=C/NN=C(N)N

DOS

IR

Vibrations