Geometry & MOs

Info

ID:	294291
PubChem CID:	117450399
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.00989
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	7.47
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-cyclopropylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1SC)C2(CCC2)C(=O)O)OC

DOS

IR

Vibrations