Geometry & MOs

Info

ID:	36727
PubChem CID:	8011901
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	383.098057
ΔH_f, kcal/mol:	-202.03
Dipole, Da:	3.23
IP(EA), eV:	-8.67(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)OCC(=O)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations