Geometry & MOs

Info

ID:	259545
PubChem CID:	103167745
Reduced:	BrO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	6.75
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)CC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations