Geometry & MOs

Info

ID:	442430
PubChem CID:	135252033
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	271.105587
ΔH_f, kcal/mol:	-195.25
Dipole, Da:	6.83
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CN(C=C1C(=O)N)C2C([C@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations