Geometry & MOs

Info

ID:	338883
PubChem CID:	127259894
Reduced:	OH10C11 (3)
Stoich.:	AB10C11 (3)
Weight, g/mol:	558.313395
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	3.9
IP(EA), eV:	-8.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[(10-decylanthracen-9-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CCCCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations