Geometry & MOs

Info

ID:	259275
PubChem CID:	103162389
Reduced:	IO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	238.076057
ΔH_f, kcal/mol:	-40.16
Dipole, Da:	5.39
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)I)C(=O)CC2CCC2

DOS

IR

Vibrations