Geometry & MOs

Info

ID:	338887
PubChem CID:	127259898
Reduced:	OH8C10 (3)
Stoich.:	AB8C10 (3)
Weight, g/mol:	530.282095
ΔH_f, kcal/mol:	-15.74
Dipole, Da:	4.16
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations