Geometry & MOs

Info

ID:	256698
PubChem CID:	103140781
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	391.96579
ΔH_f, kcal/mol:	42.12
Dipole, Da:	1.92
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-iodophenoxy)-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CCCNC(CCC1=CC=CC2=C1C=NC=C2)C3CC3

DOS

IR

Vibrations