Geometry & MOs

Info

ID:	441671
PubChem CID:	135239723
Reduced:	O2C16H21 (2)
Stoich.:	A2B16C21 (2)
Weight, g/mol:	494.266839
ΔH_f, kcal/mol:	-176.21
Dipole, Da:	0.29
IP(EA), eV:	-8.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,5-diethyl-10-(3-methylbutoxycarbonyloxy)anthracen-9-yl] 3-methylbutyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)OC1=C2C=CC=CC2=C(C3=CC=CC=C31)OC(=O)CCCCCCCC

DOS

IR

Vibrations