Geometry & MOs

Info

ID:	323902
PubChem CID:	126676503
Reduced:	N4C9H18 (1)
Stoich.:	A4B9C18 (1)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	32.93
Dipole, Da:	2.1
IP(EA), eV:	-7.82(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2,5-dimethylphenoxy)methyl]-4-methyl-5-methylsulfinyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC\1CNN/C1=C/C=C(/N)\N(C)C

DOS

IR

Vibrations