Geometry & MOs

Info

ID:	322824
PubChem CID:	126671270
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	4.48
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(2R)-1-(methylamino)propan-2-yl]oxypyridin-3-yl]oxypropan-2-one

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=CC(=CC=C1)OCCNC

DOS

IR

Vibrations