Geometry & MOs

Info

ID:	448763
PubChem CID:	135293443
Reduced:	N2O2C5H6 (2)
Stoich.:	A2B2C5D6 (2)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	5.28
IP(EA), eV:	-9.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolane-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)CO)O)C#N

DOS

IR

Vibrations