Geometry & MOs

Info

ID:	184675
PubChem CID:	77191674
Reduced:	N2O3C34H36 (1)
Stoich.:	A2B3C34D36 (1)
Weight, g/mol:	318.142701
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	3.16
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)-3-(1-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)C=C(C)C(=O)OCC)C2=CC3=C(C=C2)N(N=C3)C4CCCCO4)C5=CC=CC=C5

DOS

IR

Vibrations