Geometry & MOs

Info

ID:	338888
PubChem CID:	127259899
Reduced:	O3C37H38 (1)
Stoich.:	A3B37C38 (1)
Weight, g/mol:	460.203845
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	4.02
IP(EA), eV:	-8.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations