Geometry & MOs

Info

ID:	173629
PubChem CID:	75664075
Reduced:	O4N7C25H33 (1)
Stoich.:	A4B7C25D33 (1)
Weight, g/mol:	421.172324
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	7.29
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-amino-1,3-dimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl] 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

COCCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations