Geometry & MOs

Info

ID:	184902
PubChem CID:	77227102
Reduced:	ClO4N5H18C22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	5.9
IP(EA), eV:	-9.03(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione;3-methyl-2-pyridin-2-ylpyridine

Drug info:

PubChemData

Smile

CC(C1=CC=CN1)N(C)C(=O)C2=CC(=C3N=NC(=O)N3C4=CC=CC=C4Cl)C(=O)C=C2O

DOS

IR

Vibrations