Geometry & MOs

Info

ID:	227084
PubChem CID:	87560128
Reduced:	ClNaSO3H10C18 (1)
Stoich.:	ABCD3E10F18 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	17.04
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-3-[(4-propoxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=C4S(=O)(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations