Geometry & MOs

Info

ID:	169327
PubChem CID:	75089498
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	433.148515
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.32
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)-3-[[3-(phenoxymethyl)-1,2-oxazol-5-yl]methoxy]oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)OC=C(C2=O)CN

DOS

IR

Vibrations