Geometry & MOs

Info

ID:	24838
PubChem CID:	613875
Reduced:	O5H24C26 (1)
Stoich.:	A5B24C26 (1)
Weight, g/mol:	416.162374
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	3.71
IP(EA), eV:	-10.11(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9,10-dioxoanthracen-2-yl)methyl 3-(3-hydroxy-2-bicyclo[2.2.1]heptanylidene)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C=C1C2CCC(C2)C1O)C(=O)OCC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations