Geometry & MOs

Info

ID:	191117
PubChem CID:	78106570
Reduced:	NO6C31H39 (1)
Stoich.:	AB6C31D39 (1)
Weight, g/mol:	519.262088
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	16.04
IP(EA), eV:	-7.46(-0.45)
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-pyrrolidin-1-ylbut-2-enoxy)xanthen-9-one

Drug info:

PubChemData

Smile

CCN(CC)CC1C2COC3(C24C(=CC1C3=O)C(=O)C5=C(O4)C=C(C(=C5O)CC=C(C)C)O)CC=C(C)C

DOS

IR

Vibrations