Geometry & MOs

Info

ID:	374683
PubChem CID:	131342444
Reduced:	FN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	196.081205
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	2.86
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-[2-(methylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(C#N)N)O)F

DOS

IR

Vibrations