Geometry & MOs

Info

ID:	165037
PubChem CID:	74488222
Reduced:	O2N4C24H35 (1)
Stoich.:	A2B4C24D35 (1)
Weight, g/mol:	433.260351
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	11.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874044
Charge, e:	1

Chem-info

IUPAC name:

8-(2-methylbut-2-enyl)-1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCOCC4

DOS

IR

Vibrations