Geometry & MOs

Info

ID:	25586
PubChem CID:	626976
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	341.045486
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	5.25
IP(EA), eV:	-8.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)C1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C=CC(O2)(C)C

DOS

IR

Vibrations