Geometry & MOs

Info

ID:	264536
PubChem CID:	103469275
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	11.84
Dipole, Da:	5.57
IP(EA), eV:	-8.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC(=C(C=C2)N)C#N

DOS

IR

Vibrations