Geometry & MOs

Info

ID:	294646
PubChem CID:	117478570
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	3.69
IP(EA), eV:	-9.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-2,3-dihydro-1H-inden-4-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC(=CC(=C1)Br)C(C)(C)CC(=O)O

DOS

IR

Vibrations