Geometry & MOs

Info

ID:	269766
PubChem CID:	103618974
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	350.90939
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	1.45
IP(EA), eV:	-9.17(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-iodophenyl)-4-methyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCC2CC3=CC=CC=C23

DOS

IR

Vibrations