Geometry & MOs

Info

ID:	373876
PubChem CID:	131320944
Reduced:	ClN4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	179.085875
ΔH_f, kcal/mol:	90.15
Dipole, Da:	3.01
IP(EA), eV:	-9.5(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-fluoropyridin-2-yl)amino]butanenitrile

Drug info:

PubChemData

Smile

CC(CC1=CC=C2N1N=CN=C2Cl)C#N

DOS

IR

Vibrations