Geometry & MOs

Info

ID:	216335
PubChem CID:	85086066
Reduced:	O3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	258.121572
ΔH_f, kcal/mol:	-230.78
Dipole, Da:	2.14
IP(EA), eV:	-10.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(=O)C(C(=O)O2)(CC=C)O)C

DOS

IR

Vibrations