Geometry & MOs

Info

ID:	224275
PubChem CID:	85341033
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	3.37
IP(EA), eV:	-8.65(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCCC2=CC(=O)OC(C)(C)C

DOS

IR

Vibrations