Geometry & MOs

Info

ID:	42395
PubChem CID:	8149509
Reduced:	NO5C23H24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	7.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910814
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methoxyphenyl)indene-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)[NH+]4CCC5(CC4)OCCO5

DOS

IR

Vibrations