Geometry & MOs

Info

ID:	165066
PubChem CID:	74492690
Reduced:	O3N4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	441.286566
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757475
Charge, e:	1

Chem-info

IUPAC name:

8-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C[NH+]2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

DOS

IR

Vibrations