Geometry & MOs

Info

ID:	294846
PubChem CID:	117499656
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	314.082409
ΔH_f, kcal/mol:	-49.58
Dipole, Da:	0.74
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C2(CC2)C(C)N)Br)OC

DOS

IR

Vibrations