Geometry & MOs

Info

ID:	398656
PubChem CID:	135034602
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	385.082934
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	7.79
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[1-(2-chlorophenyl)triazol-4-yl]-5-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=CC=C1)OC(=O)C)C2=CN(N=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations