Geometry & MOs

Info

ID:	441672
PubChem CID:	135239772
Reduced:	O3C15H19 (2)
Stoich.:	A3B15C19 (2)
Weight, g/mol:	746.06013
ΔH_f, kcal/mol:	-241.38
Dipole, Da:	0.41
IP(EA), eV:	-8.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,5-diethyl-10-(1-iodopentoxycarbonyloxy)anthracen-9-yl] 1-iodopentyl carbonate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=C3C(=C2OC(=O)OCCC(C)C)C=CC=C3CC)OC(=O)OCCC(C)C

DOS

IR

Vibrations