Geometry & MOs

Info

ID:	37395
PubChem CID:	8020607
Reduced:	NF3O6H18C19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	366.091495
ΔH_f, kcal/mol:	-352.86
Dipole, Da:	8.64
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-difluorophenyl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)OC)OC

DOS

IR

Vibrations