Geometry & MOs

Info

ID:	46042
PubChem CID:	10520685
Reduced:	N2O3C7H7 (2)
Stoich.:	A2B3C7D7 (2)
Weight, g/mol:	334.12772
ΔH_f, kcal/mol:	-35.5
Dipole, Da:	8.68
IP(EA), eV:	-10.42(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R,8aR)-1-(2,6-dimethoxypyrimidin-4-yl)-7-prop-2-enyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-c]pyrimidine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2C=CN=C2[N+](=O)[O-]

DOS

IR

Vibrations