Geometry & MOs

Info

ID:	30218
PubChem CID:	840799
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	3.6
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NN)COC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations