Geometry & MOs

Info

ID:	442427
PubChem CID:	135252030
Reduced:	NO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	339.204573
ΔH_f, kcal/mol:	-247.98
Dipole, Da:	4.21
IP(EA), eV:	-8.59(-0.17)
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]octan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations