Geometry & MOs

Info

ID:	282666
PubChem CID:	103935333
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-hydroxypropyl]-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](CN1C2=CC=CC=C2C(=O)C=N1)O

DOS

IR

Vibrations