Geometry & MOs

Info

ID:	281322
PubChem CID:	103913702
Reduced:	FN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	16.54
Dipole, Da:	4.08
IP(EA), eV:	-8.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations