Geometry & MOs

Info

ID:	281296
PubChem CID:	103913662
Reduced:	ClFN2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	294.012682
ΔH_f, kcal/mol:	17.07
Dipole, Da:	3.27
IP(EA), eV:	-8.79(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations