Geometry & MOs

Info

ID:	259544
PubChem CID:	103167733
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	340.06741
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	6.39
IP(EA), eV:	-9.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(=O)CC2CCC2

DOS

IR

Vibrations