Geometry & MOs

Info

ID:	37552
PubChem CID:	8022159
Reduced:	NO2H7C11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	394.131742
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	2.15
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC4=NN=C(O4)C5=CC=CO5

DOS

IR

Vibrations