Geometry & MOs

Info

ID:	299726
PubChem CID:	117688881
Reduced:	OF2N3C10H11 (2)
Stoich.:	AB2C3D10E11 (2)
Weight, g/mol:	148.063663
ΔH_f, kcal/mol:	-212.02
Dipole, Da:	0.52
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F)C(F)F

DOS

IR

Vibrations