Geometry & MOs

Info

ID:	145753
PubChem CID:	53587716
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	311.085911
ΔH_f, kcal/mol:	2.15
Dipole, Da:	8.36
IP(EA), eV:	-8.92(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-chloro-4-methoxyphenyl)ethylsulfanyl]-5-ethyl-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=CC=CC(=C3C)C

DOS

IR

Vibrations