Geometry & MOs

Info

ID:	338884
PubChem CID:	127259895
Reduced:	OC13H14 (3)
Stoich.:	AB13C14 (3)
Weight, g/mol:	446.188195
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	4.05
IP(EA), eV:	-8.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations