Geometry & MOs

Info

ID:	314281
PubChem CID:	126621142
Reduced:	N2O2F3C11H12 (2)
Stoich.:	A2B2C3D11E12 (2)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-457.11
Dipole, Da:	9.39
IP(EA), eV:	-10.06(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(hydroxymethyl)-2,2-dimethyl-1H-pyridin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)[C@@H]2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations