Geometry & MOs

Info

ID:	30899
PubChem CID:	853737
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	195.959504
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	5.56
IP(EA), eV:	-8.63(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichlorobenzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)COC2=CC=CC=C2O

DOS

IR

Vibrations