Geometry & MOs

Info

ID:	165067
PubChem CID:	74492691
Reduced:	O3N4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	391.234531
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752315
Charge, e:	1

Chem-info

IUPAC name:

8-(1-hydroxypropan-2-yl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

COCCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3CCC=CC3)CCCC4=CN=CC=C4

DOS

IR

Vibrations