Geometry & MOs

Info

ID:	259276
PubChem CID:	103162390
Reduced:	ClO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-63.61
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations