Geometry & MOs

Info

ID:	386984
PubChem CID:	134983596
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	654.537581
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	2.11
IP(EA), eV:	-8.31(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-hexadecanoylanthracen-1-yl)hexadecan-1-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCC3=CC=CC=C32)C(=C1)CC(=O)OC)OC

DOS

IR

Vibrations