Geometry & MOs

Info

ID:	191118
PubChem CID:	78106571
Reduced:	NO6C31H37 (1)
Stoich.:	AB6C31D37 (1)
Weight, g/mol:	533.277738
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	5.69
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3,6-bis(2-methylbut-3-en-2-yloxy)-5-(4-piperidin-1-ylbut-2-enoxy)xanthen-9-one

Drug info:

PubChemData

Smile

CC(C)(C=C)OC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OC(C)(C)C=C)O)OCC=CCN4CCCC4

DOS

IR

Vibrations