Geometry & MOs

Info

ID:	581
PubChem CID:	3031
Reduced:	NCl2H3C7 (1)
Stoich.:	AB2C3D7 (1)
Weight, g/mol:	170.964255
ΔH_f, kcal/mol:	40.11
Dipole, Da:	5.07
IP(EA), eV:	-10.15(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichlorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations