Geometry & MOs

Info

ID:	36839
PubChem CID:	8013596
Reduced:	Cl2N2O3H12C17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	370.116486
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	8.97
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl)C#N

DOS

IR

Vibrations