Geometry & MOs

Info

ID:	199496
PubChem CID:	79256022
Reduced:	ClF3N3H7C10 (1)
Stoich.:	AB3C3D7E10 (1)
Weight, g/mol:	220.051574
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	4.59
IP(EA), eV:	-10.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloropyridin-2-yl)methyl-(cyanomethyl)amino]acetonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C=C1Cl)CN2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations