Geometry & MOs

Info

ID:	411435
PubChem CID:	135084266
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	339.89214
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	4.98
IP(EA), eV:	-9.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dibromo-1-naphthalen-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCC/C=N/S(=O)(=O)C1=C(C=C(C=C1)C)C

DOS

IR

Vibrations