Geometry & MOs

Info

ID:	436384
PubChem CID:	135199638
Reduced:	NO3C9H17 (2)
Stoich.:	AB3C9D17 (2)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-305.96
Dipole, Da:	4.66
IP(EA), eV:	-9.79(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3',6'-diamino-5-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCOCCOCCNC(=O)CCCCCNC=O

DOS

IR

Vibrations