Geometry & MOs

Info

ID:

167364

PubChem CID:

74815578

Reduced:

ON6C20H31 (1)

Stoich.:

AB6C20D31 (1)

Weight, g/mol:

325.138619

ΔHf, kcal/mol:

28.72

Dipole, Da:

6.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.020078

Charge, e:

 0

Chem-info

IUPAC name:

N'-(2,4-dioxo-1,3-diazinan-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C[NH2+]C2CCCC3=NC(=NC=C23)N4CCC(CC4)CO

DOS

IR

Vibrations