Geometry & MOs

Info

ID:	21414
PubChem CID:	588162
Reduced:	ClOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	218.049843
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	2.09
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-naphthalen-1-ylpropan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)CCl

DOS

IR

Vibrations