Geometry & MOs

Info

ID:	175526
PubChem CID:	75917751
Reduced:	N2O2F3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	471.271979
ΔH_f, kcal/mol:	-212.16
Dipole, Da:	4.81
IP(EA), eV:	-9.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(CNC2=NC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations