Geometry & MOs

Info

ID:	54388
PubChem CID:	17137157
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	10.27
Dipole, Da:	1.65
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N(CC)CC

DOS

IR

Vibrations