Geometry & MOs

Info

ID:	135549
PubChem CID:	51891352
Reduced:	FN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	206.121927
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	3.56
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-fluoroanilino)-2,3-dimethylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC1=CC=CC=C1F

DOS

IR

Vibrations