Geometry & MOs

Info

ID:	309988
PubChem CID:	126572459
Reduced:	NO3C7H15 (1)
Stoich.:	AB3C7D15 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	5.26
IP(EA), eV:	-10.21(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-3-[[(2R)-1-propan-2-yloxypropan-2-yl]amino]phenyl]-1,3-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)O)OC(C)C

DOS

IR

Vibrations