Geometry & MOs

Info

ID:	35930
PubChem CID:	7980513
Reduced:	ClNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	404.045151
ΔH_f, kcal/mol:	-146.68
Dipole, Da:	3.66
IP(EA), eV:	-9.58(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations