Geometry & MOs

Info

ID:	294689
PubChem CID:	117481505
Reduced:	BrO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	1.34
IP(EA), eV:	-9.44(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)C(=O)C(=O)O)Br

DOS

IR

Vibrations