Geometry & MOs

Info

ID:	372201
PubChem CID:	131294305
Reduced:	NC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	349.88032
ΔH_f, kcal/mol:	3.63
Dipole, Da:	1.43
IP(EA), eV:	-8.9(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-iodo-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC\1CNCC/C1=C\C2CC=CC2

DOS

IR

Vibrations