Geometry & MOs

Info

ID:	82844
PubChem CID:	49856663
Reduced:	Cl2N3O3C27H39 (1)
Stoich.:	A2B3C3D27E39 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-137.74
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diacetyl-3-aminobenzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=C(C=C(C=C2Cl)C(=O)CN3CCN(CC3)C(=O)C4CCCCC4)Cl

DOS

IR

Vibrations