Geometry & MOs

Info

ID:	216512
PubChem CID:	85086349
Reduced:	ON4C5H6 (2)
Stoich.:	AB4C5D6 (2)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	51.37
Dipole, Da:	4.03
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxycyclopent-2-en-1-yl)-5-thiophen-2-yl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(COC1(CO)N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations