Geometry & MOs

Info

ID:	164569
PubChem CID:	74417562
Reduced:	O2N6C21H23 (1)
Stoich.:	A2B6C21D23 (1)
Weight, g/mol:	390.312053
ΔH_f, kcal/mol:	76.29
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042650
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[9-(2-cyclohexylethyl)-2-aza-9-azoniaspiro[4.5]decan-2-yl]-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C1=CN(N=C1)C)NC2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations