Geometry & MOs

Info

ID:	372757
PubChem CID:	131304038
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	319.84233
ΔH_f, kcal/mol:	35.45
Dipole, Da:	3.95
IP(EA), eV:	-9.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dichloro-4-(chloromethyl)-5-iodobenzene

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C#N)[C@H]2CCCN2

DOS

IR

Vibrations