Geometry & MOs

Info

ID:	294061
PubChem CID:	117425710
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	268.00989
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	3.68
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-methylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(C=C(C=C2)C(CN)O)Cl

DOS

IR

Vibrations