Geometry & MOs

Info

ID:	380247
PubChem CID:	134970629
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	376.118298
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	2.57
IP(EA), eV:	-10.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9S,9aS)-4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-9-fluoro-1,2,3,4,9,9a-hexahydropyrimido[1,2-c]pyrimidine-6,8-dione

Drug info:

PubChemData

Smile

CCCC(=CC(=O)CC)C#N

DOS

IR

Vibrations