Geometry & MOs

Info

ID:	187731
PubChem CID:	77616513
Reduced:	FON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	325.163771
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	4.13
IP(EA), eV:	-8.87(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,3-diazinane-2,4-dione;1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C(=O)C(C=NC3=C2CC4CCCCC4)C#N)F

DOS

IR

Vibrations