Geometry & MOs

Info

ID:	209133
PubChem CID:	80628310
Reduced:	FN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	285.103275
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	5.6
IP(EA), eV:	-9.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[5-(chloromethyl)-3-methylpyridin-2-yl]anilino)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=CC(=C(C=C2)C#N)F)CO

DOS

IR

Vibrations