Geometry & MOs

Info

ID:	441669
PubChem CID:	135239635
Reduced:	O3C15H19 (2)
Stoich.:	A3B15C19 (2)
Weight, g/mol:	522.298139
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	1.26
IP(EA), eV:	-8.33(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-heptoxycarbonyloxy-2,3-dimethylanthracen-9-yl) heptyl carbonate

Drug info:

PubChemData

Smile

CCCCCOC(=O)OC1=C2C=C(C(=CC2=C(C3=CC=CC=C31)OC(=O)OCCCCC)CC)CC

DOS

IR

Vibrations