Geometry & MOs

Info

ID:

233667

PubChem CID:

91148447

Reduced:

ON8C40H40 (1)

Stoich.:

AB8C40D40 (1)

Weight, g/mol:

331.210721

ΔHf, kcal/mol:

141.97

Dipole, Da:

9.16

IP(EA), eV:

 -8.84(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(methylamino)pyrimidin-2-one;ethane

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)N2C(=C(C=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)C5=CC=C(C=C5)CN(CCC#N)CC6=CN=CC=C6

DOS

IR

Vibrations