Geometry & MOs

Info

ID:	166689
PubChem CID:	74723228
Reduced:	ON2C8H11 (3)
Stoich.:	AB2C8D11 (3)
Weight, g/mol:	317.150132
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	0.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.765765
Charge, e:	1

Chem-info

IUPAC name:

3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-phenylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C([NH+](C3=NC4=CC=CC=[N+]4C(=O)C3=C2)CCC[NH+]5CCOCC5)N

DOS

IR

Vibrations