Geometry & MOs

Info

ID:	63697
PubChem CID:	26758996
Reduced:	ClO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	364.088221
ΔH_f, kcal/mol:	-161.0
Dipole, Da:	4.56
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)COC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations