Geometry & MOs

Info

ID:	373359
PubChem CID:	131314090
Reduced:	NOCl3H4C9 (1)
Stoich.:	ABC3D4E9 (1)
Weight, g/mol:	305.93084
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	0.43
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-5-iodo-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=C(N2)C=O)Cl)Cl)Cl

DOS

IR

Vibrations