Geometry & MOs

Info

ID:	35920
PubChem CID:	7980494
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	339.029835
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	3.26
IP(EA), eV:	-9.67(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-cyanoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations