Geometry & MOs

Info

ID:	283406
PubChem CID:	103979673
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	6.25
IP(EA), eV:	-9.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2CCCC2C(=O)O)O

DOS

IR

Vibrations