Geometry & MOs

Info

ID:	283409
PubChem CID:	103979744
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	318.042564
ΔH_f, kcal/mol:	-151.7
Dipole, Da:	5.45
IP(EA), eV:	-9.15(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dichloro-4-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations