Geometry & MOs

Info

ID:	272833
PubChem CID:	103760905
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	278.042232
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	4.36
IP(EA), eV:	-9.58(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-fluoroanilino)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC(CC)CNC(=O)C1C2C1C3CCC2C3

DOS

IR

Vibrations