Geometry & MOs

Info

ID:	378168
PubChem CID:	134224242
Reduced:	ClO3N6H21C23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	214.095357
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	7.93
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=O)C2=CC=CC=C2NC3=NC(=NC=C3Cl)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations