Geometry & MOs

Info

ID:	448710
PubChem CID:	135292923
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	134.084398
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	8.12
IP(EA), eV:	-9.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-3,4-dihydropyridin-3-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC/C(=C(/C=N)\C(F)(F)F)/N)CC(=O)N

DOS

IR

Vibrations