Geometry & MOs

Info

ID:	442932
PubChem CID:	135256941
Reduced:	ON10H24C27 (1)
Stoich.:	AB10C24D27 (1)
Weight, g/mol:	285.121237
ΔH_f, kcal/mol:	158.02
Dipole, Da:	12.53
IP(EA), eV:	-8.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=CC=C4)NC5=N/C(=C/NC)/N=C5

DOS

IR

Vibrations