Geometry & MOs

Info

ID:	299797
PubChem CID:	117695596
Reduced:	IN2O5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	6.49
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)heptan-2-yl]-5-ethenyl-2-ethylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

C/C=C\1/NC(=O)C(=CN1C2C(C(C(O2)CO)O)O)I

DOS

IR

Vibrations