Geometry & MOs

Info

ID:	34347
PubChem CID:	7890869
Reduced:	ClN2O4H13C20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	2.8
IP(EA), eV:	-9.1(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations