Geometry & MOs

Info

ID:	275846
PubChem CID:	103818385
Reduced:	ClFNO2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	290.062219
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	2.21
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-5-fluoroanilino)methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(OC(=C1)CO)CNC2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations