Geometry & MOs

Info

ID:	310580
PubChem CID:	126582862
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.96
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-3-[[(2R)-1-ethoxypropan-2-yl]amino]phenyl]-1,3-dimethyl-2H-pyridin-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3[C@@H](C)COC)C

DOS

IR

Vibrations