Geometry & MOs

Info

ID:	196526
PubChem CID:	78843493
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	1.29
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCCOC(=O)CCCOC2=CC=C(C=C2)F

DOS

IR

Vibrations