Geometry & MOs

Info

ID:	35921
PubChem CID:	7980495
Reduced:	ClNO4H10C18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	342.029501
ΔH_f, kcal/mol:	-69.61
Dipole, Da:	4.38
IP(EA), eV:	-10.29(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C#N)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations