Geometry & MOs

Info

ID:	281316
PubChem CID:	103913694
Reduced:	NF2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	282.153227
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	3.52
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations