Geometry & MOs

Info

ID:	442428
PubChem CID:	135252031
Reduced:	NO5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	353.220223
ΔH_f, kcal/mol:	-222.08
Dipole, Da:	5.26
IP(EA), eV:	-8.5(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyridin-3-yl]nonan-1-one

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C1=CN(C=CC1)C2C([C@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations