Geometry & MOs

Info

ID:	212307
PubChem CID:	81060088
Reduced:	F3N3C11H12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	2.95
IP(EA), eV:	-9.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(hydroxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC(F)(F)F

DOS

IR

Vibrations