Geometry & MOs

Info

ID:	309996
PubChem CID:	126572574
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CC(C)OC)C4CCOCC4

DOS

IR

Vibrations