Geometry & MOs

Info

ID:	83560
PubChem CID:	49857895
Reduced:	N3O6C13H17 (1)
Stoich.:	A3B6C13D17 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	-159.97
Dipole, Da:	1.79
IP(EA), eV:	-8.96(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(5-phenylmethoxypyridin-2-yl)oxypropanedioate

Drug info:

PubChemData

Smile

CC1=C(/C(=C\2/N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)/NO1)C(=O)C

DOS

IR

Vibrations