Geometry & MOs

Info

ID:	442431
PubChem CID:	135252034
Reduced:	NO6C12H17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	313.152537
ΔH_f, kcal/mol:	-239.84
Dipole, Da:	4.38
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations