Geometry & MOs

Info

ID:	338885
PubChem CID:	127259896
Reduced:	O3H26C31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	502.250795
ΔH_f, kcal/mol:	-20.65
Dipole, Da:	1.6
IP(EA), eV:	-8.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations