Geometry & MOs

Info

ID:	73853
PubChem CID:	48420736
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	3.78
IP(EA), eV:	-9.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2-(2,3-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(S1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations