Geometry & MOs

Info

ID:	149851
PubChem CID:	53789530
Reduced:	NOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	498.288243
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	2.66
IP(EA), eV:	-9.2(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(diethylamino)octylamino]spiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC(C)(CC=CCCC=CCC(C)(C)N)C=O

DOS

IR

Vibrations