Geometry & MOs

Info

ID:	281311
PubChem CID:	103913686
Reduced:	FN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	294.012682
ΔH_f, kcal/mol:	18.91
Dipole, Da:	3.77
IP(EA), eV:	-8.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dichloroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations