Geometry & MOs

Info

ID:	310471
PubChem CID:	126580653
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	5.02
IP(EA), eV:	-8.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-(dimethylamino)-N,N-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-amine oxide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N/C(=C\C(=O)C3=CC=C(C=C3)OC)/CN2

DOS

IR

Vibrations