Geometry & MOs

Info

ID:	165040
PubChem CID:	74488225
Reduced:	N3O3C21H26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	417.286566
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774271
Charge, e:	1

Chem-info

IUPAC name:

8-(1-methoxypropan-2-yl)-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)O

DOS

IR

Vibrations