Geometry & MOs

Info

ID:

38130

PubChem CID:

8027279

Reduced:

NO5C14H14 (1)

Stoich.:

AB5C14D14 (1)

Weight, g/mol:

252.134816

ΔHf, kcal/mol:

-121.37

Dipole, Da:

3.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.781863

Charge, e:

 1

Chem-info

IUPAC name:

5-[(4R)-4-(furan-2-yl)-2,5-dioxoimidazolidin-4-yl]pentylazanium

Drug info:

PubChemData

Smile

CCN1[C@@H]([C@@H](CC1=O)C(=O)[O-])C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations