Geometry & MOs

Info

ID:	373570
PubChem CID:	131317428
Reduced:	ClON2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	170.004704
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	4.34
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-chloro-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)Cl)N)O

DOS

IR

Vibrations