Geometry & MOs

Info

ID:	8754
PubChem CID:	81051
Reduced:	NCl2H3C7 (1)
Stoich.:	AB2C3D7 (1)
Weight, g/mol:	170.964255
ΔH_f, kcal/mol:	40.88
Dipole, Da:	2.25
IP(EA), eV:	-9.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichlorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations