Geometry & MOs

Info

ID:	228045
PubChem CID:	87563279
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	3.83
IP(EA), eV:	-8.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)OCC

DOS

IR

Vibrations